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

Systemtic Name: (phenylmethyl) 2-[[5-cyano-4-(2-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-2-keto-4-(2-methoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid benzyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S/c1-27-19-10-6-5-9-16(19)17-11-20(25)24-22(18(17)12-23)29-14-21(26)28-13-15-7-3-2-4-8-15/h2-10,17H,11,13-14H2,1H3,(H,24,25)