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

Systemtic Name: diethyl 6-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-isopropoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 6-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 4-(2-isopropoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester Formula: C35H56N2O5S MolecularWeight: 616.89454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H56N2O5S/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-23-28-24-22-25-29(42-26(4)5)31(28)32-30(33(38)40-8-2)27(6)36-34(43)37(32)35(39)41-9-3/h22,24-26,32H,7-21,23H2,1-6H3,(H,36,43)