(2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbonylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbonylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[3-(trifluoromethyl)benzoyl]amino]butyrate Formula: C13H13F3NO3S- MolecularWeight: 320.30743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3NO3S/c1-21-6-5-10(12(19)20)17-11(18)8-3-2-4-9(7-8)13(14,15)16/h2-4,7,10H,5-6H2,1H3,(H,17,18)(H,19,20)/p-1/t10-/m0/s1