ethyl 4-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[(6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]-3-keto-butyric acid ethyl ester Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC(=O)CC(=O)OCC

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC(=O)CC(=O)OCC

InChI

InChI=1S/C12H16N2O4S/c1-3-8-5-10(16)14-12(13-8)19-7-9(15)6-11(17)18-4-2/h5H,3-4,6-7H2,1-2H3,(H,13,14,16)