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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)O)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)O)OCC3=CC=CC=C3)C#N

InChI

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