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

Systemtic Name: propan-2-yl (6S)-6-(2-chloranyl-6-fluoranyl-phenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl (6S)-6-(2-chloro-6-fluoro-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2-chloro-6-fluorophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6S)-6-(2-chloro-6-fluorophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(2-chloro-6-fluoro-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C21H20ClFN2O2S MolecularWeight: 418.912103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=C(C=CC=C3Cl)F)C(=O)OC(C)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2=CC=CC=C2)C3=C(C=CC=C3Cl)F)C(=O)OC(C)C

InChI

InChI=1S/C21H20ClFN2O2S/c1-12(2)27-20(26)17-13(3)25(14-8-5-4-6-9-14)21(28)24-19(17)18-15(22)10-7-11-16(18)23/h4-12,19H,1-3H3,(H,24,28)/t19-/m0/s1