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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO3S/c1-19-5-4-10(12(17)18)15-11(16)8-6-7(13)2-3-9(8)14/h2-3,6,10H,4-5H2,1H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1