4-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbamoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbamoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-(difluoromethylsulfanyl)phenyl]carbamoylamino]-4-oxo-butanoic acid CAS Name: 4-[[[2-(difluoromethylthio)anilino]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-(difluoromethylsulfanyl)phenyl]carbamoylamino]-4-oxobutanoic acid Traditional Name: 4-[[2-(difluoromethylthio)phenyl]carbamoylamino]-4-keto-butyric acid Formula: C12H12F2N2O4S MolecularWeight: 318.296486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)NC(=O)CCC(=O)O)SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)NC(=O)CCC(=O)O)SC(F)F

InChI

InChI=1S/C12H12F2N2O4S/c13-11(14)21-8-4-2-1-3-7(8)15-12(20)16-9(17)5-6-10(18)19/h1-4,11H,5-6H2,(H,18,19)(H2,15,16,17,20)