ethyl (2R)-1-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]pipecolinic acid ethyl ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCCCC2C(=O)OCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCCC[C@@H]2C(=O)OCC

InChI

InChI=1S/C17H25N3O4S/c1-3-7-12-10-14(21)19-17(18-12)25-11-15(22)20-9-6-5-8-13(20)16(23)24-4-2/h10,13H,3-9,11H2,1-2H3,(H,18,19,21)/t13-/m1/s1