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

Systemtic Name: ethyl 6-methyl-4-(4-nonoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-(4-nonoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(4-nonoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(4-nonoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(4-nonoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H34N2O3S MolecularWeight: 418.59266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC

InChI

InChI=1S/C23H34N2O3S/c1-4-6-7-8-9-10-11-16-28-19-14-12-18(13-15-19)21-20(22(26)27-5-2)17(3)24-23(29)25-21/h12-15,21H,4-11,16H2,1-3H3,(H2,24,25,29)