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

Systemtic Name: 4-[[2-(trifluoromethylsulfanyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-[[2-(trifluoromethylsulfanyl)benzoyl]amino]butanoic acid CAS Name: 4-[[oxo-[2-(trifluoromethylthio)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-[[2-(trifluoromethylsulfanyl)benzoyl]amino]butanoic acid Traditional Name: 4-[[2-(trifluoromethylthio)benzoyl]amino]butyric acid Formula: C12H12F3NO3S MolecularWeight: 307.28879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3NO3S/c13-12(14,15)20-9-5-2-1-4-8(9)11(19)16-7-3-6-10(17)18/h1-2,4-5H,3,6-7H2,(H,16,19)(H,17,18)