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

Systemtic Name: methyl 1-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-3-25-13-4-5-14-15(10-13)20-18(19-14)26-11-16(22)21-8-6-12(7-9-21)17(23)24-2/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,19,20)