diethyl 4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: diethyl 4-(3-chlorophenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 4-(3-chlorophenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O4S/c1-4-23-15(21)13-10(3)19-16(25)20(17(22)24-5-2)14(13)11-7-6-8-12(18)9-11/h6-9,14H,4-5H2,1-3H3,(H,19,25)