2-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[5-[(difluoromethylthio)methyl]-2-furanyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[5-[(difluoromethylthio)methyl]-2-furoyl]amino]-3-methyl-butyric acid Formula: C12H15F2NO4S MolecularWeight: 307.313606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC=C(O1)CSC(F)F

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC=C(O1)CSC(F)F

InChI

InChI=1S/C12H15F2NO4S/c1-6(2)9(11(17)18)15-10(16)8-4-3-7(19-8)5-20-12(13)14/h3-4,6,9,12H,5H2,1-2H3,(H,15,16)(H,17,18)