4-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]-methyl-amino]butanoic acid CAS Name: 4-[[[5-[(difluoromethylthio)methyl]-2-furanyl]-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]-methylamino]butanoic acid Traditional Name: 4-[[5-[(difluoromethylthio)methyl]-2-furoyl]-methyl-amino]butyric acid Formula: C12H15F2NO4S MolecularWeight: 307.313606

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=CC=C(O1)CSC(F)F

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=CC=C(O1)CSC(F)F

InChI

InChI=1S/C12H15F2NO4S/c1-15(6-2-3-10(16)17)11(18)9-5-4-8(19-9)7-20-12(13)14/h4-5,12H,2-3,6-7H2,1H3,(H,16,17)