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

Systemtic Name: ethyl 2-[4-(4-chlorophenyl)-3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methylpyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4S/c1-5-28-21(27)19(13(4)26)29-20-16(10-23)18(14-6-8-15(22)9-7-14)17(12(3)25)11(2)24-20/h6-9,19H,5H2,1-4H3