ethyl 2-fluoranyl-3-oxidanylidene-2-phenylsulfanyl-butanoate

Systemtic Name: ethyl 2-fluoranyl-3-oxidanylidene-2-phenylsulfanyl-butanoate Openeye Name: ethyl 2-fluoro-3-oxo-2-phenylsulfanyl-butanoate CAS Name: 2-fluoro-3-oxo-2-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-fluoro-3-oxo-2-phenylsulfanylbutanoate Traditional Name: 2-fluoro-3-keto-2-(phenylthio)butyric acid ethyl ester Formula: C12H13FO3S MolecularWeight: 256.293223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13FO3S/c1-3-16-11(15)12(13,9(2)14)17-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3