ethyl 4-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S/c1-3-31-24(29)13-19(28)16-32-25-22(15-26)21(17-7-5-4-6-8-17)14-23(27-25)18-9-11-20(30-2)12-10-18/h4-12,14H,3,13,16H2,1-2H3