ethyl 4-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 3-keto-4-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]butyric acid ethyl ester Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC(=O)C(=C(N1)C)C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=O)C(=C(N1)C)C

InChI

InChI=1S/C12H16N2O4S/c1-4-18-10(16)5-9(15)6-19-12-13-8(3)7(2)11(17)14-12/h4-6H2,1-3H3,(H,13,14,17)