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

Systemtic Name: ethyl 4-(2,4-diethoxy-5-ethyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,4-diethoxy-5-ethyl-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,4-diethoxy-5-ethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,4-diethoxy-5-ethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,4-diethoxy-5-ethyl-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)OCC)OCC

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)OCC)OCC

InChI

InChI=1S/C20H28N2O4S/c1-6-13-10-14(16(25-8-3)11-15(13)24-7-2)18-17(19(23)26-9-4)12(5)21-20(27)22-18/h10-11,18H,6-9H2,1-5H3,(H2,21,22,27)