ethyl 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C16H23N3O3S/c1-4-22-15(21)13-6-5-7-19(9-13)14(20)10-23-16-17-11(2)8-12(3)18-16/h8,13H,4-7,9-10H2,1-3H3