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

Systemtic Name: (phenylmethyl) 2-[[5-cyano-4-(3-ethoxy-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-cyano-4-(3-ethoxy-4-hydroxy-phenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-4-(3-ethoxy-4-hydroxy-phenyl)-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid benzyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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