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

Systemtic Name: ethyl 4-(4-ethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-ethoxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-ethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-phenyl-4-p-phenetyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-3-25-16-12-10-15(11-13-16)19-17(20(24)26-4-2)18(22-21(27)23-19)14-8-6-5-7-9-14/h5-13,19H,3-4H2,1-2H3,(H2,22,23,27)