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

Systemtic Name: dimethyl 5-(4-methylphenyl)carbonyl-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Openeye Name: dimethyl 5-(4-methylbenzoyl)-2-thioxo-1H-pyrimidine-4,6-dicarboxylate CAS Name: 5-[(4-methylphenyl)-oxomethyl]-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-methylbenzoyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Traditional Name: 5-p-toluoyl-2-thioxo-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(NC(=S)N=C2C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(NC(=S)N=C2C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H14N2O5S/c1-8-4-6-9(7-5-8)13(19)10-11(14(20)22-2)17-16(24)18-12(10)15(21)23-3/h4-7H,1-3H3,(H,17,18,24)