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

Systemtic Name: ethyl 4-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-6-phenyl-2-pyridinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3-cyano-6-phenylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(3-cyano-6-phenyl-2-pyridyl)thio]-3-keto-butyric acid ethyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c1-2-23-17(22)10-15(21)12-24-18-14(11-19)8-9-16(20-18)13-6-4-3-5-7-13/h3-9H,2,10,12H2,1H3