4-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]butanoic acid Openeye Name: 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid CAS Name: 4-[[[2-(difluoromethylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid Traditional Name: 4-[[2-(difluoromethylthio)benzoyl]amino]butyric acid Formula: C12H13F2NO3S MolecularWeight: 289.298326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO3S/c13-12(14)19-9-5-2-1-4-8(9)11(18)15-7-3-6-10(16)17/h1-2,4-5,12H,3,6-7H2,(H,15,18)(H,16,17)