2-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-[(difluoromethylthio)methyl]-2-furanyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-[(difluoromethylthio)methyl]-2-furoyl]amino]-4-(methylthio)butyric acid Formula: C12H15F2NO4S2 MolecularWeight: 339.378606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15F2NO4S2/c1-20-5-4-8(11(17)18)15-10(16)9-3-2-7(19-9)6-21-12(13)14/h2-3,8,12H,4-6H2,1H3,(H,15,16)(H,17,18)