6-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]hexanoic acid Openeye Name: 6-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]hexanoic acid CAS Name: 6-[[[5-[(difluoromethylthio)methyl]-2-furanyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]hexanoic acid Traditional Name: 6-[[5-[(difluoromethylthio)methyl]-2-furoyl]amino]hexanoic acid Formula: C13H17F2NO4S MolecularWeight: 321.340186

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)NCCCCCC(=O)O)CSC(F)F

Isomeric SMILES

C1=C(OC(=C1)C(=O)NCCCCCC(=O)O)CSC(F)F

InChI

InChI=1S/C13H17F2NO4S/c14-13(15)21-8-9-5-6-10(20-9)12(19)16-7-3-1-2-4-11(17)18/h5-6,13H,1-4,7-8H2,(H,16,19)(H,17,18)