dimethyl 5-(3-methoxy-4-oxidanyl-phenyl)carbonyl-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate

Systemtic Name: dimethyl 5-(3-methoxy-4-oxidanyl-phenyl)carbonyl-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Openeye Name: dimethyl 5-(4-hydroxy-3-methoxy-benzoyl)-2-thioxo-1H-pyrimidine-4,6-dicarboxylate CAS Name: 5-[(4-hydroxy-3-methoxyphenyl)-oxomethyl]-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-hydroxy-3-methoxybenzoyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Traditional Name: 2-thioxo-5-vanilloyl-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O7S/c1-23-9-6-7(4-5-8(9)19)13(20)10-11(14(21)24-2)17-16(26)18-12(10)15(22)25-3/h4-6,19H,1-3H3,(H,17,18,26)