diethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 4-(2-ethoxy-6-pentadecylphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-ethoxy-6-pentadecylphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester Formula: C34H54N2O5S MolecularWeight: 602.86796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=S)N2C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=S)N2C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C34H54N2O5S/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-23-27-24-22-25-28(39-7-2)30(27)31-29(32(37)40-8-3)26(5)35-33(42)36(31)34(38)41-9-4/h22,24-25,31H,6-21,23H2,1-5H3,(H,35,42)