prop-2-enyl 4-(2,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 4-(2,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: allyl 4-(2,5-dimethoxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(2,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,5-dimethoxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid allyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC=C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC=C

InChI

InChI=1S/C22H22N2O4S/c1-4-12-28-21(25)18-19(14-8-6-5-7-9-14)23-22(29)24-20(18)16-13-15(26-2)10-11-17(16)27-3/h4-11,13,20H,1,12H2,2-3H3,(H2,23,24,29)