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

Systemtic Name: ethyl 4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-3-propoxy-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-3-propoxy-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2-methoxy-6-pentadecylphenyl)-6-methyl-3-propoxy-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxy-6-pentadecylphenyl)-6-methyl-3-propoxy-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-3-propoxy-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C33H54N2O4S MolecularWeight: 574.85786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H54N2O4S/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-22-27-23-21-24-28(37-5)30(27)31-29(32(36)38-8-3)26(4)34-33(40)35(31)39-25-7-2/h21,23-24,31H,6-20,22,25H2,1-5H3,(H,34,40)