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

Systemtic Name: 2-[2-[[1-(furan-2-ylcarbonyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[[1-(furan-2-carbonyl)-3-piperidyl]methylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[[1-[2-furanyl(oxo)methyl]-3-piperidinyl]methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[[1-(2-furoyl)-3-piperidyl]methylthio]benzimidazol-1-yl]acetic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CO2)CSC3=NC4=CC=CC=C4N3CC(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=CO2)CSC3=NC4=CC=CC=C4N3CC(=O)O

InChI

InChI=1S/C20H21N3O4S/c24-18(25)12-23-16-7-2-1-6-15(16)21-20(23)28-13-14-5-3-9-22(11-14)19(26)17-8-4-10-27-17/h1-2,4,6-8,10,14H,3,5,9,11-13H2,(H,24,25)