2-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]propanoic acid CAS Name: 2-[[oxo-[4-(trifluoromethylthio)phenyl]methyl]amino]propanoic acid IUPAC Name: 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]propanoic acid Traditional Name: 2-[[4-(trifluoromethylthio)benzoyl]amino]propionic acid Formula: C11H10F3NO3S MolecularWeight: 293.26221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10F3NO3S/c1-6(10(17)18)15-9(16)7-2-4-8(5-3-7)19-11(12,13)14/h2-6H,1H3,(H,15,16)(H,17,18)