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

Systemtic Name: 2-[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-[[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=CC=C3C(=O)O

Isomeric SMILES

C1CC2=C(C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H15N3O3S/c19-9-12-8-11-4-3-7-14(11)21-17(12)25-10-16(22)20-15-6-2-1-5-13(15)18(23)24/h1-2,5-6,8H,3-4,7,10H2,(H,20,22)(H,23,24)