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

Systemtic Name: ethyl 1-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-4-6-14-11-15(22)20-18(19-14)26-12(3)16(23)21-9-7-13(8-10-21)17(24)25-5-2/h11-13H,4-10H2,1-3H3,(H,19,20,22)