(2S)-2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(2,6-difluorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2,6-difluorophenyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(2,6-difluorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2,6-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=C(C=CC=C1F)F

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=C(C=CC=C1F)F

InChI

InChI=1S/C12H13F2NO3S/c1-19-6-5-9(12(17)18)15-11(16)10-7(13)3-2-4-8(10)14/h2-4,9H,5-6H2,1H3,(H,15,16)(H,17,18)/p-1/t9-/m0/s1