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

Systemtic Name: 4-azanyl-2-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[5-[(difluoromethylthio)methyl]-2-furanyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[5-[(difluoromethylthio)methyl]-2-furoyl]amino]-4-keto-butyric acid Formula: C11H12F2N2O5S MolecularWeight: 322.285186

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)NC(CC(=O)N)C(=O)O)CSC(F)F

Isomeric SMILES

C1=C(OC(=C1)C(=O)NC(CC(=O)N)C(=O)O)CSC(F)F

InChI

InChI=1S/C11H12F2N2O5S/c12-11(13)21-4-5-1-2-7(20-5)9(17)15-6(10(18)19)3-8(14)16/h1-2,6,11H,3-4H2,(H2,14,16)(H,15,17)(H,18,19)