methyl 1-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C17H21N3O3S/c1-19-14-6-4-3-5-13(14)18-17(19)24-11-15(21)20-9-7-12(8-10-20)16(22)23-2/h3-6,12H,7-11H2,1-2H3