(2S)-2-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(3,5-difluorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3,5-difluorophenyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(3,5-difluorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3,5-difluorobenzoyl)amino]-4-(methylthio)butyrate Formula: C12H12F2NO3S- MolecularWeight: 288.290386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=CC(=CC(=C1)F)F

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=CC(=CC(=C1)F)F

InChI

InChI=1S/C12H13F2NO3S/c1-19-3-2-10(12(17)18)15-11(16)7-4-8(13)6-9(14)5-7/h4-6,10H,2-3H2,1H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1