ethyl 3-[[5-cyano-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[[5-cyano-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[[4-(4-benzyloxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-3-oxo-propanoate CAS Name: 3-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-3-oxopropanoate Traditional Name: 3-[[4-(4-benzoxyphenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]-3-keto-propionic acid ethyl ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)SC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)CC(=O)SC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C24H22N2O5S/c1-2-30-22(28)13-23(29)32-24-20(14-25)19(12-21(27)26-24)17-8-10-18(11-9-17)31-15-16-6-4-3-5-7-16/h3-11,19H,2,12-13,15H2,1H3,(H,26,27)