ethyl 2-[3-cyano-5-ethanoyl-4-(4-methoxyphenyl)-6-methyl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[3-cyano-5-ethanoyl-4-(4-methoxyphenyl)-6-methyl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[5-acetyl-3-cyano-4-(4-methoxyphenyl)-6-methyl-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 2-[[5-acetyl-3-cyano-4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[5-acetyl-3-cyano-4-(4-methoxyphenyl)-6-methylpyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 2-[[5-acetyl-3-cyano-4-(4-methoxyphenyl)-6-methyl-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NC(=C(C(=C1C#N)C2=CC=C(C=C2)OC)C(=O)C)C

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=NC(=C(C(=C1C#N)C2=CC=C(C=C2)OC)C(=O)C)C

InChI

InChI=1S/C22H22N2O5S/c1-6-29-22(27)20(14(4)26)30-21-17(11-23)19(18(13(3)25)12(2)24-21)15-7-9-16(28-5)10-8-15/h7-10,20H,6H2,1-5H3