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

Systemtic Name: methyl 3-(3-chloranyl-4-fluoranyl-phenyl)-6-(2-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H18ClFN2O4S MolecularWeight: 448.895023

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClFN2O4S/c1-11-17(20(27)29-3)18(13-6-4-5-7-14(13)19(26)28-2)24-21(30)25(11)12-8-9-16(23)15(22)10-12/h4-10,18H,1-3H3,(H,24,30)