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

Systemtic Name: 2-methoxyethyl 3-(3-chloranyl-4-fluoranyl-phenyl)-6-(2-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 3-(3-chloro-4-fluoro-phenyl)-6-(2-methoxycarbonylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3-chloro-4-fluorophenyl)-6-(2-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-(3-chloro-4-fluorophenyl)-6-(2-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-carbomethoxyphenyl)-3-(3-chloro-4-fluoro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C23H22ClFN2O5S MolecularWeight: 492.947583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3C(=O)OC)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3C(=O)OC)C(=O)OCCOC

InChI

InChI=1S/C23H22ClFN2O5S/c1-13-19(22(29)32-11-10-30-2)20(15-6-4-5-7-16(15)21(28)31-3)26-23(33)27(13)14-8-9-18(25)17(24)12-14/h4-9,12,20H,10-11H2,1-3H3,(H,26,33)