methyl 4-(4-acetyloxy-3,5-dimethoxy-phenyl)-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(4-acetyloxy-3,5-dimethoxy-phenyl)-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(4-acetoxy-3,5-dimethoxy-phenyl)-6-(4-fluorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-acetyloxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-acetyloxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-acetoxy-3,5-dimethoxy-phenyl)-6-(4-fluorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C22H21FN2O6S MolecularWeight: 460.475343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)C2C(=C(NC(=S)N2)C3=CC=C(C=C3)F)C(=O)OC)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)C2C(=C(NC(=S)N2)C3=CC=C(C=C3)F)C(=O)OC)OC

InChI

InChI=1S/C22H21FN2O6S/c1-11(26)31-20-15(28-2)9-13(10-16(20)29-3)19-17(21(27)30-4)18(24-22(32)25-19)12-5-7-14(23)8-6-12/h5-10,19H,1-4H3,(H2,24,25,32)