3-sulfanyl-2-[[2-(trifluoromethyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-sulfanyl-2-[[2-(trifluoromethyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-sulfanyl-2-[[2-(trifluoromethyl)benzoyl]amino]propanoic acid CAS Name: 3-mercapto-2-[[oxo-[2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-sulfanyl-2-[[2-(trifluoromethyl)benzoyl]amino]propanoic acid Traditional Name: 3-mercapto-2-[[2-(trifluoromethyl)benzoyl]amino]propionic acid Formula: C11H10F3NO3S MolecularWeight: 293.26221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10F3NO3S/c12-11(13,14)7-4-2-1-3-6(7)9(16)15-8(5-19)10(17)18/h1-4,8,19H,5H2,(H,15,16)(H,17,18)