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

Systemtic Name: (phenylmethyl) 2-[(3-cyano-4-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[[3-cyano-4-(3-pyridyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-cyano-4-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[[3-cyano-4-(3-pyridyl)-1-pyrindan-2-yl]thio]acetic acid benzyl ester Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(C(=C2C3=CN=CC=C3)C#N)SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)N=C(C(=C2C3=CN=CC=C3)C#N)SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O2S/c24-12-19-22(17-8-5-11-25-13-17)18-9-4-10-20(18)26-23(19)29-15-21(27)28-14-16-6-2-1-3-7-16/h1-3,5-8,11,13H,4,9-10,14-15H2