ethyl 3-oxidanylidene-3-phenyl-2-pyridin-2-ylsulfanyl-propanoate

Systemtic Name: ethyl 3-oxidanylidene-3-phenyl-2-pyridin-2-ylsulfanyl-propanoate Openeye Name: ethyl 3-oxo-3-phenyl-2-(2-pyridylsulfanyl)propanoate CAS Name: 3-oxo-3-phenyl-2-(2-pyridinylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-3-phenyl-2-pyridin-2-ylsulfanylpropanoate Traditional Name: 3-keto-3-phenyl-2-(2-pyridylthio)propionic acid ethyl ester Formula: C16H15NO3S MolecularWeight: 301.3602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CC=CC=C1)SC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C(C(=O)C1=CC=CC=C1)SC2=CC=CC=N2

InChI

InChI=1S/C16H15NO3S/c1-2-20-16(19)15(21-13-10-6-7-11-17-13)14(18)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3