4-methylsulfanyl-2-[[4-(trifluoromethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[4-(trifluoromethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[4-(trifluoromethyl)benzoyl]amino]butyric acid Formula: C13H14F3NO3S MolecularWeight: 321.31537

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)C(F)(F)F

InChI

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