ethyl 1-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1-isobutylbenzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-isobutylbenzimidazol-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3N2CC(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3N2CC(C)C

InChI

InChI=1S/C22H31N3O3S/c1-5-28-21(27)17-10-12-24(13-11-17)20(26)16(4)29-22-23-18-8-6-7-9-19(18)25(22)14-15(2)3/h6-9,15-17H,5,10-14H2,1-4H3