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

Systemtic Name: dimethyl 5-(phenylcarbonyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Openeye Name: dimethyl 5-benzoyl-2-thioxo-1H-pyrimidine-4,6-dicarboxylate CAS Name: 5-benzoyl-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-benzoyl-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Traditional Name: 5-benzoyl-2-thioxo-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester Formula: C15H12N2O5S MolecularWeight: 332.33118

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O5S/c1-21-13(19)10-9(12(18)8-6-4-3-5-7-8)11(14(20)22-2)17-15(23)16-10/h3-7H,1-2H3,(H,16,17,23)