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

Systemtic Name: 4-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]amino]butanoic acid Openeye Name: 4-[2-(difluoromethylsulfanyl)anilino]butanoic acid CAS Name: 4-[2-(difluoromethylthio)anilino]butanoic acid IUPAC Name: 4-[2-(difluoromethylsulfanyl)anilino]butanoic acid Traditional Name: 4-[2-(difluoromethylthio)anilino]butyric acid Formula: C11H13F2NO2S MolecularWeight: 261.288226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCCC(=O)O)SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)NCCCC(=O)O)SC(F)F

InChI

InChI=1S/C11H13F2NO2S/c12-11(13)17-9-5-2-1-4-8(9)14-7-3-6-10(15)16/h1-2,4-5,11,14H,3,6-7H2,(H,15,16)