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

Systemtic Name: ethyl 6-methyl-4-(4-octoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-(4-octoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(4-octoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(4-octoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(4-octoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC

InChI

InChI=1S/C22H32N2O3S/c1-4-6-7-8-9-10-15-27-18-13-11-17(12-14-18)20-19(21(25)26-5-2)16(3)23-22(28)24-20/h11-14,20H,4-10,15H2,1-3H3,(H2,23,24,28)