ethyl 4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-methoxy-6-pentadecylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxy-6-pentadecylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C30H48N2O3S MolecularWeight: 516.77872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(NC(=S)N2)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(NC(=S)N2)C)C(=O)OCC

InChI

InChI=1S/C30H48N2O3S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22-25(34-4)27(24)28-26(29(33)35-6-2)23(3)31-30(36)32-28/h19,21-22,28H,5-18,20H2,1-4H3,(H2,31,32,36)