2-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]hexanoic acid

Systemtic Name: 2-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]hexanoic acid Openeye Name: 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]hexanoic acid CAS Name: 2-[[[5-[(difluoromethylthio)methyl]-2-furanyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]hexanoic acid Traditional Name: 2-[[5-[(difluoromethylthio)methyl]-2-furoyl]amino]hexanoic acid Formula: C13H17F2NO4S MolecularWeight: 321.340186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17F2NO4S/c1-2-3-4-9(12(18)19)16-11(17)10-6-5-8(20-10)7-21-13(14)15/h5-6,9,13H,2-4,7H2,1H3,(H,16,17)(H,18,19)