2-[2-[(1-ethanoylpiperidin-3-yl)methylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(1-ethanoylpiperidin-3-yl)methylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[(1-acetyl-3-piperidyl)methylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[(1-acetyl-3-piperidinyl)methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[(1-acetylpiperidin-3-yl)methylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(1-acetyl-3-piperidyl)methylthio]benzimidazol-1-yl]acetic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1)CSC2=NC3=CC=CC=C3N2CC(=O)O

Isomeric SMILES

CC(=O)N1CCCC(C1)CSC2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C17H21N3O3S/c1-12(21)19-8-4-5-13(9-19)11-24-17-18-14-6-2-3-7-15(14)20(17)10-16(22)23/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,22,23)