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

Systemtic Name: ethyl 1-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-4-26-15-6-7-16-17(12-15)22-20(21-16)28-13(3)18(24)23-10-8-14(9-11-23)19(25)27-5-2/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,21,22)