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

Systemtic Name: ethyl 1-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3N2CCOC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3N2CCOC

InChI

InChI=1S/C21H29N3O4S/c1-4-28-20(26)16-9-11-23(12-10-16)19(25)15(2)29-21-22-17-7-5-6-8-18(17)24(21)13-14-27-3/h5-8,15-16H,4,9-14H2,1-3H3