prop-2-enyl (6R)-6-[2,6-bis(fluoranyl)phenyl]-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl (6R)-6-[2,6-bis(fluoranyl)phenyl]-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: allyl (6R)-6-(2,6-difluorophenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(2,6-difluorophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (6R)-6-(2,6-difluorophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(2,6-difluorophenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid allyl ester Formula: C21H18F2N2O2S MolecularWeight: 400.441626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=C(C=CC=C3F)F)C(=O)OCC=C

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC=CC=C2)C3=C(C=CC=C3F)F)C(=O)OCC=C

InChI

InChI=1S/C21H18F2N2O2S/c1-3-12-27-20(26)17-13(2)25(14-8-5-4-6-9-14)21(28)24-19(17)18-15(22)10-7-11-16(18)23/h3-11,19H,1,12H2,2H3,(H,24,28)/t19-/m1/s1