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

Systemtic Name: diethyl 4-(2-dodecyl-6-methoxy-phenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-dodecyl-6-methoxy-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 4-(2-dodecyl-6-methoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-dodecyl-6-methoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 4-(2-lauryl-6-methoxy-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester Formula: C30H46N2O5S MolecularWeight: 546.76164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46N2O5S/c1-6-9-10-11-12-13-14-15-16-17-19-23-20-18-21-24(35-5)26(23)27-25(28(33)36-7-2)22(4)31-29(38)32(27)30(34)37-8-3/h18,20-21,27H,6-17,19H2,1-5H3,(H,31,38)