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

Systemtic Name: methyl (6S)-6-(4-acetamidophenyl)-3-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(4-acetamidophenyl)-3-(3-chloro-4-fluoro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-acetamidophenyl)-3-(3-chloro-4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(4-acetamidophenyl)-3-(3-chloro-4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-acetamidophenyl)-3-(3-chloro-4-fluoro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H19ClFN3O3S MolecularWeight: 447.910263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)NC(=O)C)C(=O)OC

InChI

InChI=1S/C21H19ClFN3O3S/c1-11-18(20(28)29-3)19(13-4-6-14(7-5-13)24-12(2)27)25-21(30)26(11)15-8-9-17(23)16(22)10-15/h4-10,19H,1-3H3,(H,24,27)(H,25,30)/t19-/m0/s1