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

Systemtic Name: ethyl 4-[3-cyano-6-(4-fluorophenyl)-5-methyl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-cyano-6-(4-fluorophenyl)-5-methyl-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[3-cyano-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-cyano-6-(4-fluorophenyl)-5-methylpyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-cyano-6-(4-fluorophenyl)-5-methyl-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C19H17FN2O3S MolecularWeight: 372.413283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC(=C(C=C1C#N)C)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=C(C=C1C#N)C)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H17FN2O3S/c1-3-25-17(24)9-16(23)11-26-19-14(10-21)8-12(2)18(22-19)13-4-6-15(20)7-5-13/h4-8H,3,9,11H2,1-2H3