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

Systemtic Name: ethyl 1-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)C

InChI

InChI=1S/C15H21N3O4S/c1-3-22-14(21)11-4-6-18(7-5-11)13(20)9-23-15-16-10(2)8-12(19)17-15/h8,11H,3-7,9H2,1-2H3,(H,16,17,19)