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

Systemtic Name: 2-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]pentanoic acid Openeye Name: 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pentanoic acid CAS Name: 2-[[oxo-[4-(trifluoromethylthio)phenyl]methyl]amino]pentanoic acid IUPAC Name: 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pentanoic acid Traditional Name: 2-[[4-(trifluoromethylthio)benzoyl]amino]valeric acid Formula: C13H14F3NO3S MolecularWeight: 321.31537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3NO3S/c1-2-3-10(12(19)20)17-11(18)8-4-6-9(7-5-8)21-13(14,15)16/h4-7,10H,2-3H2,1H3,(H,17,18)(H,19,20)