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

Systemtic Name: 4-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(difluoromethylsulfanyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[2-(difluoromethylthio)anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-(difluoromethylsulfanyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[2-(difluoromethylthio)anilino]-4-keto-butyric acid Formula: C11H11F2NO3S MolecularWeight: 275.271746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11F2NO3S/c12-11(13)18-8-4-2-1-3-7(8)14-9(15)5-6-10(16)17/h1-4,11H,5-6H2,(H,14,15)(H,16,17)