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

Systemtic Name: ethyl 4-(3-ethoxy-2-methoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-ethoxy-2-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-ethoxy-2-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethoxy-2-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-ethoxy-2-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1OC)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H24N2O4S/c1-4-27-16-13-9-12-15(20(16)26-3)19-17(21(25)28-5-2)18(23-22(29)24-19)14-10-7-6-8-11-14/h6-13,19H,4-5H2,1-3H3,(H2,23,24,29)