2-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[2-(difluoromethylthio)phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(difluoromethylthio)benzoyl]amino]-3-methyl-butyric acid Formula: C13H15F2NO3S MolecularWeight: 303.324906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F2NO3S/c1-7(2)10(12(18)19)16-11(17)8-5-3-4-6-9(8)20-13(14)15/h3-7,10,13H,1-2H3,(H,16,17)(H,18,19)