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

Systemtic Name: ethyl 1-[2-(1-methylbenzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1-methylbenzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-methylbenzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-methylbenzimidazol-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C19H25N3O3S/c1-4-25-18(24)14-9-11-22(12-10-14)17(23)13(2)26-19-20-15-7-5-6-8-16(15)21(19)3/h5-8,13-14H,4,9-12H2,1-3H3