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

Systemtic Name: diethyl 4-(2-dodecyl-6-ethoxy-phenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-dodecyl-6-ethoxy-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 4-(2-dodecyl-6-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-dodecyl-6-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 4-(2-ethoxy-6-lauryl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester Formula: C31H48N2O5S MolecularWeight: 560.78822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=S)N2C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=S)N2C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C31H48N2O5S/c1-6-10-11-12-13-14-15-16-17-18-20-24-21-19-22-25(36-7-2)27(24)28-26(29(34)37-8-3)23(5)32-30(39)33(28)31(35)38-9-4/h19,21-22,28H,6-18,20H2,1-5H3,(H,32,39)