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

Systemtic Name: ethyl 6-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-isopropoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-isopropoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C32H52N2O3S MolecularWeight: 544.83188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H52N2O3S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-26-22-20-23-27(37-24(3)4)29(26)30-28(31(35)36-7-2)25(5)33-32(38)34-30/h20,22-24,30H,6-19,21H2,1-5H3,(H2,33,34,38)