2-[5-fluoranyl-2-[[1-(furan-2-ylcarbonyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-[[1-(furan-2-ylcarbonyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-[[1-(furan-2-carbonyl)-3-piperidyl]methylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[5-fluoro-2-[[1-[2-furanyl(oxo)methyl]-3-piperidinyl]methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-[[1-(furan-2-carbonyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[5-fluoro-2-[[1-(2-furoyl)-3-piperidyl]methylthio]benzimidazol-1-yl]acetic acid Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CO2)CSC3=NC4=C(N3CC(=O)O)C=CC(=C4)F

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=CO2)CSC3=NC4=C(N3CC(=O)O)C=CC(=C4)F

InChI

InChI=1S/C20H20FN3O4S/c21-14-5-6-16-15(9-14)22-20(24(16)11-18(25)26)29-12-13-3-1-7-23(10-13)19(27)17-4-2-8-28-17/h2,4-6,8-9,13H,1,3,7,10-12H2,(H,25,26)