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4-[3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoic acid
4-[3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CC=C(C=C3)C(=O)O)C#N
Isomeric SMILES
C1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CC=C(C=C3)C(=O)O)C#N
InChI
InChI=1S/C20H19N3O3S/c21-12-15-11-14-3-1-2-4-17(14)23-19(15)27-10-9-18(24)22-16-7-5-13(6-8-16)20(25)26/h5-8,11H,1-4,9-10H2,(H,22,24)(H,25,26)
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