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

Systemtic Name: (phenylmethyl) 2-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-4-phenyl-1-pyrindan-2-yl)thio]acetic acid benzyl ester Formula: C24H20N2O2S MolecularWeight: 400.4928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O2S/c25-14-20-23(18-10-5-2-6-11-18)19-12-7-13-21(19)26-24(20)29-16-22(27)28-15-17-8-3-1-4-9-17/h1-6,8-11H,7,12-13,15-16H2