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

Systemtic Name: ethyl 4-(3-chloranyl-5-ethoxy-4-prop-2-enoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-allyloxy-3-chloro-5-ethoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-allyloxy-3-chloro-5-ethoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H25ClN2O4S MolecularWeight: 472.9843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN2O4S/c1-4-12-31-22-17(25)13-16(14-18(22)29-5-2)21-19(23(28)30-6-3)20(26-24(32)27-21)15-10-8-7-9-11-15/h4,7-11,13-14,21H,1,5-6,12H2,2-3H3,(H2,26,27,32)