4-[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]butanoylamino]benzoic acid

Systemtic Name: 4-[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]butanoylamino]benzoic acid Openeye Name: 4-[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]butanoylamino]benzoic acid CAS Name: 4-[[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]butanoylamino]benzoic acid Traditional Name: 4-[2-[(3-cyano-1-pyrindan-2-yl)thio]butanoylamino]benzoic acid Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC3=C(CCC3)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC3=C(CCC3)C=C2C#N

InChI

InChI=1S/C20H19N3O3S/c1-2-17(18(24)22-15-8-6-12(7-9-15)20(25)26)27-19-14(11-21)10-13-4-3-5-16(13)23-19/h6-10,17H,2-5H2,1H3,(H,22,24)(H,25,26)