dimethyl 5-(4-chlorophenyl)carbonyl-5-methyl-2-sulfanylidene-pyrimidine-4,6-dicarboxylate

Systemtic Name: dimethyl 5-(4-chlorophenyl)carbonyl-5-methyl-2-sulfanylidene-pyrimidine-4,6-dicarboxylate Openeye Name: dimethyl 5-(4-chlorobenzoyl)-5-methyl-2-thioxo-pyrimidine-4,6-dicarboxylate CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-5-methyl-2-sulfanylidenepyrimidine-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-chlorobenzoyl)-5-methyl-2-sulfanylidenepyrimidine-4,6-dicarboxylate Traditional Name: 5-(4-chlorobenzoyl)-5-methyl-2-thioxo-pyrimidine-4,6-dicarboxylic acid dimethyl ester Formula: C16H13ClN2O5S MolecularWeight: 380.80282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NC(=S)N=C1C(=O)OC)C(=O)OC)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1(C(=NC(=S)N=C1C(=O)OC)C(=O)OC)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H13ClN2O5S/c1-16(12(20)8-4-6-9(17)7-5-8)10(13(21)23-2)18-15(25)19-11(16)14(22)24-3/h4-7H,1-3H3