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

Systemtic Name: methyl 1-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C17H21N3O4S/c1-23-12-3-4-13-14(9-12)19-17(18-13)25-10-15(21)20-7-5-11(6-8-20)16(22)24-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19)