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

Systemtic Name: (phenylmethyl) 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-1-pyrindan-2-yl)thio]acetic acid benzyl ester Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(C(=C2)C#N)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)N=C(C(=C2)C#N)SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2S/c19-10-15-9-14-7-4-8-16(14)20-18(15)23-12-17(21)22-11-13-5-2-1-3-6-13/h1-3,5-6,9H,4,7-8,11-12H2