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

Systemtic Name: (phenylmethyl) 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[(5-cyano-2-keto-4-p-phenetyl-3,4-dihydro-1H-pyridin-6-yl)thio]acetic acid benzyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4S/c1-2-28-18-10-8-17(9-11-18)19-12-21(26)25-23(20(19)13-24)30-15-22(27)29-14-16-6-4-3-5-7-16/h3-11,19H,2,12,14-15H2,1H3,(H,25,26)