diethyl 2-[(4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)methylidene]propanedioate

Systemtic Name: diethyl 2-[(4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)methylidene]propanedioate Openeye Name: diethyl 2-[(4-oxo-2-thioxo-pyrimidin-1-yl)methylene]propanedioate CAS Name: 2-[(4-oxo-2-sulfanylidene-1-pyrimidinyl)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-oxo-2-sulfanylidenepyrimidin-1-yl)methylidene]propanedioate Traditional Name: 2-[(4-keto-2-thioxo-pyrimidin-1-yl)methylene]malonic acid diethyl ester Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN1C=CC(=O)NC1=S)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CN1C=CC(=O)NC1=S)C(=O)OCC

InChI

InChI=1S/C12H14N2O5S/c1-3-18-10(16)8(11(17)19-4-2)7-14-6-5-9(15)13-12(14)20/h5-7H,3-4H2,1-2H3,(H,13,15,20)