null CDK 0224162331 null 23 24 0 0 0 0 0 0 0 0999 V2000 -4.7370 -1.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9165 -1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 -1.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6111 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2756 -0.8626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1262 -2.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 -2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8932 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 -1.6545 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7537 -2.8106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 7 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 M END > CHEBI:107400 > 2-[2-[[benzamido(sulfanylidene)methyl]amino]-4-thiazolyl]acetic acid ethyl ester > 2 > C15H15N3O3S2 > 349.431 > 349.05548 > 0 > CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=CC=C2 > InChI=1S/C15H15N3O3S2/c1-2-21-12(19)8-11-9-23-15(16-11)18-14(22)17-13(20)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,16,17,18,20,22) > NZKFCGVVILYGBE-UHFFFAOYSA-N > LSM-18754 $$$$