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4-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoic acid
4-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoic acid
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Canonical SMILES:
CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC3=C(CC(CC3)C)C=C2C#N
Isomeric SMILES
CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC3=C(CC(CC3)C)C=C2C#N
InChI
InChI=1S/C22H23N3O3S/c1-3-19(20(26)24-17-7-5-14(6-8-17)22(27)28)29-21-16(12-23)11-15-10-13(2)4-9-18(15)25-21/h5-8,11,13,19H,3-4,9-10H2,1-2H3,(H,24,26)(H,27,28)
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