3-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]amino]butanoic acid

Systemtic Name: 3-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]amino]butanoic acid Openeye Name: 3-[2-(difluoromethylsulfanyl)anilino]butanoic acid CAS Name: 3-[2-(difluoromethylthio)anilino]butanoic acid IUPAC Name: 3-[2-(difluoromethylsulfanyl)anilino]butanoic acid Traditional Name: 3-[2-(difluoromethylthio)anilino]butyric acid Formula: C11H13F2NO2S MolecularWeight: 261.288226

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=CC=CC=C1SC(F)F

Isomeric SMILES

CC(CC(=O)O)NC1=CC=CC=C1SC(F)F

InChI

InChI=1S/C11H13F2NO2S/c1-7(6-10(15)16)14-8-4-2-3-5-9(8)17-11(12)13/h2-5,7,11,14H,6H2,1H3,(H,15,16)