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

Systemtic Name: ethyl (6S)-6-(4-acetamidophenyl)-3-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C22H21ClFN3O3S MolecularWeight: 461.936843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)NC(=O)C)C3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CC=C(C=C2)NC(=O)C)C3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C22H21ClFN3O3S/c1-4-30-21(29)19-12(2)27(16-9-10-18(24)17(23)11-16)22(31)26-20(19)14-5-7-15(8-6-14)25-13(3)28/h5-11,20H,4H2,1-3H3,(H,25,28)(H,26,31)/t20-/m0/s1