ethyl 4-(4-chlorophenyl)-3-ethanoyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-3-ethanoyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-acetyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-acetyl-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-acetyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H17ClN2O3S MolecularWeight: 352.83578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)N(C1C2=CC=C(C=C2)Cl)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N(C1C2=CC=C(C=C2)Cl)C(=O)C)C

InChI

InChI=1S/C16H17ClN2O3S/c1-4-22-15(21)13-9(2)18-16(23)19(10(3)20)14(13)11-5-7-12(17)8-6-11/h5-8,14H,4H2,1-3H3,(H,18,23)