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

Systemtic Name: ethyl 1-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]isonipecotic 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)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCC(CC2)C(=O)OCC

InChI

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