5-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-(difluoromethylsulfanyl)anilino]-5-oxo-pentanoic acid CAS Name: 5-[2-(difluoromethylthio)anilino]-5-oxopentanoic acid IUPAC Name: 5-[2-(difluoromethylsulfanyl)anilino]-5-oxopentanoic acid Traditional Name: 5-[2-(difluoromethylthio)anilino]-5-keto-valeric acid Formula: C12H13F2NO3S MolecularWeight: 289.298326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO3S/c13-12(14)19-9-5-2-1-4-8(9)15-10(16)6-3-7-11(17)18/h1-2,4-5,12H,3,6-7H2,(H,15,16)(H,17,18)