ethyl (6S)-6-[2,6-bis(fluoranyl)phenyl]-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-6-[2,6-bis(fluoranyl)phenyl]-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(2,6-difluorophenyl)-3-(4-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2,6-difluorophenyl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(2,6-difluorophenyl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(2,6-difluorophenyl)-3-(4-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H17F3N2O2S MolecularWeight: 406.42139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=C(C=CC=C2F)F)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=C(C=CC=C2F)F)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H17F3N2O2S/c1-3-27-19(26)16-11(2)25(13-9-7-12(21)8-10-13)20(28)24-18(16)17-14(22)5-4-6-15(17)23/h4-10,18H,3H2,1-2H3,(H,24,28)/t18-/m0/s1