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

Systemtic Name: (phenylmethyl) 2-[[5-cyano-4-(2-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-cyano-4-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-2-keto-4-(o-tolyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid benzyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O3S/c1-15-7-5-6-10-17(15)18-11-20(25)24-22(19(18)12-23)28-14-21(26)27-13-16-8-3-2-4-9-16/h2-10,18H,11,13-14H2,1H3,(H,24,25)