(2S)-2-[(4-chloranyl-2-fluoranyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(4-chloranyl-2-fluoranyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(4-chloro-2-fluoro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chloro-2-fluorophenyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(4-chloro-2-fluorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chloro-2-fluoro-benzoyl)amino]-4-(methylthio)butyrate Formula: C12H12ClFNO3S- MolecularWeight: 304.744983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClFNO3S/c1-19-5-4-10(12(17)18)15-11(16)8-3-2-7(13)6-9(8)14/h2-3,6,10H,4-5H2,1H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1