(phenylmethyl) 2-[[4-(2-chlorophenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[4-(2-chlorophenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-chlorophenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid benzyl ester Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl

Isomeric SMILES

C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H17ClN2O3S/c22-18-9-5-4-8-15(18)16-10-19(25)24-21(17(16)11-23)28-13-20(26)27-12-14-6-2-1-3-7-14/h1-9,16H,10,12-13H2,(H,24,25)