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

Systemtic Name: dimethyl 5-(3,4-dichlorophenyl)carbonyl-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Openeye Name: dimethyl 5-(3,4-dichlorobenzoyl)-2-thioxo-1H-pyrimidine-4,6-dicarboxylate CAS Name: 5-[(3,4-dichlorophenyl)-oxomethyl]-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(3,4-dichlorobenzoyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Traditional Name: 5-(3,4-dichlorobenzoyl)-2-thioxo-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester Formula: C15H10Cl2N2O5S MolecularWeight: 401.2213

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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(=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H10Cl2N2O5S/c1-23-13(21)10-9(11(14(22)24-2)19-15(25)18-10)12(20)6-3-4-7(16)8(17)5-6/h3-5H,1-2H3,(H,18,19,25)