methyl 1-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-p-phenetylbenzimidazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C24H27N3O4S/c1-3-31-19-10-8-18(9-11-19)27-21-7-5-4-6-20(21)25-24(27)32-16-22(28)26-14-12-17(13-15-26)23(29)30-2/h4-11,17H,3,12-16H2,1-2H3