1-[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid CAS Name: 1-[[5-[(difluoromethylthio)methyl]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid Traditional Name: 1-[5-[(difluoromethylthio)methyl]-2-furoyl]nipecotic acid Formula: C13H15F2NO4S MolecularWeight: 319.324306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(O2)CSC(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(O2)CSC(F)F)C(=O)O

InChI

InChI=1S/C13H15F2NO4S/c14-13(15)21-7-9-3-4-10(20-9)11(17)16-5-1-2-8(6-16)12(18)19/h3-4,8,13H,1-2,5-7H2,(H,18,19)