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

Systemtic Name: methyl 1-[2-(1-methylimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(1-methylimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1-methylimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-methylimidazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CN1C=CN=C1SCC(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C13H19N3O3S/c1-15-8-5-14-13(15)20-9-11(17)16-6-3-10(4-7-16)12(18)19-2/h5,8,10H,3-4,6-7,9H2,1-2H3