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

Systemtic Name: 4-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]butanoic acid Openeye Name: 4-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]butanoic acid CAS Name: 4-[[[5-[(difluoromethylthio)methyl]-2-furanyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]butanoic acid Traditional Name: 4-[[5-[(difluoromethylthio)methyl]-2-furoyl]amino]butyric acid Formula: C11H13F2NO4S MolecularWeight: 293.287026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13F2NO4S/c12-11(13)19-6-7-3-4-8(18-7)10(17)14-5-1-2-9(15)16/h3-4,11H,1-2,5-6H2,(H,14,17)(H,15,16)