2-[1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-[2-keto-2-(4-methylpiperidino)ethyl]benzimidazol-2-yl]thio]acetic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)O

InChI

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