ethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-3-propoxy-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-3-propoxy-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-3-propoxy-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2-ethoxy-6-pentadecylphenyl)-6-methyl-3-propoxy-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxy-6-pentadecylphenyl)-6-methyl-3-propoxy-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-3-propoxy-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C34H56N2O4S MolecularWeight: 588.88444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=S)N2OCCC)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=S)N2OCCC)C)C(=O)OCC

InChI

InChI=1S/C34H56N2O4S/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-23-28-24-22-25-29(38-8-3)31(28)32-30(33(37)39-9-4)27(5)35-34(41)36(32)40-26-7-2/h22,24-25,32H,6-21,23,26H2,1-5H3,(H,35,41)