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

Systemtic Name: methyl 1-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S/c1-3-4-12-9-13(20)18-16(17-12)24-10-14(21)19-7-5-11(6-8-19)15(22)23-2/h9,11H,3-8,10H2,1-2H3,(H,17,18,20)