methyl 3-oxidanylidene-2-phenylsulfanyl-butanoate

Systemtic Name: methyl 3-oxidanylidene-2-phenylsulfanyl-butanoate Openeye Name: methyl 3-oxo-2-phenylsulfanyl-butanoate CAS Name: 3-oxo-2-(phenylthio)butanoic acid methyl ester IUPAC Name: methyl 3-oxo-2-phenylsulfanylbutanoate Traditional Name: 3-keto-2-(phenylthio)butyric acid methyl ester Formula: C11H12O3S MolecularWeight: 224.27618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O3S/c1-8(12)10(11(13)14-2)15-9-6-4-3-5-7-9/h3-7,10H,1-2H3