ethyl 1-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C19H25N3O4S/c1-3-25-14-5-6-15-16(11-14)21-19(20-15)27-12-17(23)22-9-7-13(8-10-22)18(24)26-4-2/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,20,21)