methyl 1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)N2CCC(CC2)C(=O)OC)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)N2CCC(CC2)C(=O)OC)C

InChI

InChI=1S/C16H23N3O3S/c1-10-11(2)17-16(18-12(10)3)23-9-14(20)19-7-5-13(6-8-19)15(21)22-4/h13H,5-9H2,1-4H3