3000477 -OEChem-10051721253D 38 38 0 0 0 0 0 0 0999 V2000 3.5064 2.5230 -0.2968 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.7918 0.6331 0.1198 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9192 -1.1780 -0.4562 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4906 -0.5805 -0.4838 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0302 -0.1960 1.3046 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 1.6678 0.1368 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7134 -2.3603 -0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9558 -1.9131 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3003 0.9854 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9486 1.8591 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0777 0.7940 0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 -2.9195 1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3153 -3.3661 -1.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1719 -0.1563 0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8073 2.2419 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 3.1156 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0084 -2.9264 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0525 -2.0821 1.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9363 3.3069 -0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1322 0.5513 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 -2.0976 -0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9391 -2.0608 -0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -0.1805 0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8562 -3.9635 1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 -2.3922 1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4752 -2.8797 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9274 -4.2715 -1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4284 -2.9269 -2.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2619 -3.6479 -1.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3422 -3.9522 -0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9371 -2.7668 -1.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9962 -2.8092 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3004 -3.1175 1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8091 -1.4479 1.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 -1.8316 1.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1091 3.9538 -0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8589 2.5285 0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3152 4.2924 -0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 20 2 0 0 0 0 3 7 1 0 0 0 0 3 14 1 0 0 0 0 4 8 1 0 0 0 0 4 20 1 0 0 0 0 5 14 2 0 0 0 0 6 10 1 0 0 0 0 6 20 1 0 0 0 0 6 37 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 15 2 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 15 19 1 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 38 1 0 0 0 0 M END > DB08681 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AXTNFJKQZPETJA-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)OC(=S)NC1=CC(C(=O)OC(C)C)=C(Cl)C=C1 > InChI=1S/C14H18ClNO3S/c1-8(2)18-13(17)11-7-10(5-6-12(11)15)16-14(20)19-9(3)4/h5-9H,1-4H3,(H,16,20) > AXTNFJKQZPETJA-UHFFFAOYSA-N > C14H18ClNO3S > 315.816 > 315.069591844 > 2 > 38 > -0.7711845906661234 > 32.96582779422887 > 1 > 1 > 0 > 1 > propan-2-yl 2-chloro-5-{[(propan-2-yloxy)methanethioyl]amino}benzoate > 4.11 > 4.874404502666667 > -5.07 > 0 > -1 > 1 > -1 > 6.472326922958695 > -2.073863622878308 > 47.56 > 85.70040000000003 > 6 > 1 > 2.68e-03 g/l > tetrahydrofolic acid > 0 $$$$