methyl 2-[[5-cyano-4-(4-methoxy-3-phenylmethoxy-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-cyano-4-(4-methoxy-3-phenylmethoxy-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(3-benzyloxy-4-methoxy-phenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-cyano-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-benzoxy-4-methoxy-phenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O5S/c1-28-19-9-8-16(10-20(19)30-13-15-6-4-3-5-7-15)17-11-21(26)25-23(18(17)12-24)31-14-22(27)29-2/h3-10,17H,11,13-14H2,1-2H3,(H,25,26)