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

Systemtic Name: ethyl (6S)-6-[2,6-bis(fluoranyl)phenyl]-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(2,6-difluorophenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2,6-difluorophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(2,6-difluorophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(2,6-difluorophenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H18F2N2O2S MolecularWeight: 388.430926

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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=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18F2N2O2S/c1-3-26-19(25)16-12(2)24(13-8-5-4-6-9-13)20(27)23-18(16)17-14(21)10-7-11-15(17)22/h4-11,18H,3H2,1-2H3,(H,23,27)/t18-/m0/s1