ethyl 3-oxidanylidene-2-phenylsulfanyl-butanoate

Systemtic Name: ethyl 3-oxidanylidene-2-phenylsulfanyl-butanoate Openeye Name: ethyl 3-oxo-2-phenylsulfanyl-butanoate CAS Name: 3-oxo-2-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-2-phenylsulfanylbutanoate Traditional Name: 3-keto-2-(phenylthio)butyric acid ethyl ester Formula: C12H14O3S MolecularWeight: 238.30276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=CC=CC=C1

InChI

InChI=1S/C12H14O3S/c1-3-15-12(14)11(9(2)13)16-10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3