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

Systemtic Name: dimethyl 5-(4-methoxyphenyl)carbonyl-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Openeye Name: dimethyl 5-(4-methoxybenzoyl)-2-thioxo-1H-pyrimidine-4,6-dicarboxylate CAS Name: 5-[(4-methoxyphenyl)-oxomethyl]-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-methoxybenzoyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Traditional Name: 5-p-anisoyl-2-thioxo-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester Formula: C16H14N2O6S MolecularWeight: 362.35716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C(NC(=S)N=C2C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C(NC(=S)N=C2C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H14N2O6S/c1-22-9-6-4-8(5-7-9)13(19)10-11(14(20)23-2)17-16(25)18-12(10)15(21)24-3/h4-7H,1-3H3,(H,17,18,25)