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

Systemtic Name: diethyl 6-methyl-4-(2-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: diethyl 6-methyl-4-(2-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 6-methyl-4-(2-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-methyl-4-(2-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 6-methyl-4-(2-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C17H19N3O6S/c1-4-25-15(21)13-10(3)18-16(27)19(17(22)26-5-2)14(13)11-8-6-7-9-12(11)20(23)24/h6-9,14H,4-5H2,1-3H3,(H,18,27)