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4-[3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoic acid
4-[3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CC=C(C=C3)C(=O)O)C#N
Isomeric SMILES
CC1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CC=C(C=C3)C(=O)O)C#N
InChI
InChI=1S/C21H21N3O3S/c1-13-2-7-18-15(10-13)11-16(12-22)20(24-18)28-9-8-19(25)23-17-5-3-14(4-6-17)21(26)27/h3-6,11,13H,2,7-10H2,1H3,(H,23,25)(H,26,27)
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