ethyl 1-[2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2-isobutylsulfanylbenzimidazol-1-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-(2-methylpropylthio)-1-benzimidazolyl]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-(isobutylthio)benzimidazol-1-yl]acetyl]isonipecotic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCC(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCC(C)C

InChI

InChI=1S/C21H29N3O3S/c1-4-27-20(26)16-9-11-23(12-10-16)19(25)13-24-18-8-6-5-7-17(18)22-21(24)28-14-15(2)3/h5-8,15-16H,4,9-14H2,1-3H3