ethyl (2R)-1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]pipecolinic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-3-27-20(26)18-11-7-8-12-24(18)19(25)14-28-21-22-15(2)13-17(23-21)16-9-5-4-6-10-16/h4-6,9-10,13,18H,3,7-8,11-12,14H2,1-2H3/t18-/m1/s1