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

Systemtic Name: ethyl 4-(3,4-diethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3,4-diethoxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3,4-diethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-diethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3,4-diethoxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC)OCC

InChI

InChI=1S/C23H26N2O4S/c1-4-27-17-13-12-16(14-18(17)28-5-2)21-19(22(26)29-6-3)20(24-23(30)25-21)15-10-8-7-9-11-15/h7-14,21H,4-6H2,1-3H3,(H2,24,25,30)