dimethyl 5-(furan-2-ylcarbonyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate

Systemtic Name: dimethyl 5-(furan-2-ylcarbonyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Openeye Name: dimethyl 5-(furan-2-carbonyl)-2-thioxo-1H-pyrimidine-4,6-dicarboxylate CAS Name: 5-[2-furanyl(oxo)methyl]-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(furan-2-carbonyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Traditional Name: 5-(2-furoyl)-2-thioxo-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester Formula: C13H10N2O6S MolecularWeight: 322.2933

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NC(=S)N1)C(=O)OC)C(=O)C2=CC=CO2

Isomeric SMILES

COC(=O)C1=C(C(=NC(=S)N1)C(=O)OC)C(=O)C2=CC=CO2

InChI

InChI=1S/C13H10N2O6S/c1-19-11(17)8-7(10(16)6-4-3-5-21-6)9(12(18)20-2)15-13(22)14-8/h3-5H,1-2H3,(H,14,15,22)