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

Systemtic Name: 4-[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(3-cyano-1-pyrindan-2-yl)thio]acetyl]amino]benzoic acid Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CC2=C(C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15N3O3S/c19-9-13-8-12-2-1-3-15(12)21-17(13)25-10-16(22)20-14-6-4-11(5-7-14)18(23)24/h4-8H,1-3,10H2,(H,20,22)(H,23,24)