methyl 3-(3-fluoranyl-4-methyl-phenyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-(3-fluoranyl-4-methyl-phenyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(3-fluoro-4-methyl-phenyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3-fluoro-4-methylphenyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-fluoro-4-methylphenyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-carbomethoxyphenyl)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CC=C(C=C3)C(=O)OC)C(=O)OC)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CC=C(C=C3)C(=O)OC)C(=O)OC)C)F

InChI

InChI=1S/C22H21FN2O4S/c1-12-5-10-16(11-17(12)23)25-13(2)18(21(27)29-4)19(24-22(25)30)14-6-8-15(9-7-14)20(26)28-3/h5-11,19H,1-4H3,(H,24,30)