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

Systemtic Name: ethyl 3-(3-fluoranyl-4-methyl-phenyl)-6-(2-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-(3-fluoro-4-methyl-phenyl)-6-(2-methoxycarbonylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3-fluoro-4-methylphenyl)-6-(2-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-fluoro-4-methylphenyl)-6-(2-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-carbomethoxyphenyl)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H23FN2O4S MolecularWeight: 442.503123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2C(=O)OC)C3=CC(=C(C=C3)C)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2C(=O)OC)C3=CC(=C(C=C3)C)F)C

InChI

InChI=1S/C23H23FN2O4S/c1-5-30-22(28)19-14(3)26(15-11-10-13(2)18(24)12-15)23(31)25-20(19)16-8-6-7-9-17(16)21(27)29-4/h6-12,20H,5H2,1-4H3,(H,25,31)