2-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: 2-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(difluoromethylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid Traditional Name: 2-[[2-(difluoromethylthio)benzoyl]amino]butyric acid Formula: C12H13F2NO3S MolecularWeight: 289.298326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1=CC=CC=C1SC(F)F

Isomeric SMILES

CCC(C(=O)O)NC(=O)C1=CC=CC=C1SC(F)F

InChI

InChI=1S/C12H13F2NO3S/c1-2-8(11(17)18)15-10(16)7-5-3-4-6-9(7)19-12(13)14/h3-6,8,12H,2H2,1H3,(H,15,16)(H,17,18)