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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=C(C=CC=C3F)F)C(=O)OC

Isomeric SMILES

CCC1=C([C@H](NC(=S)N1C2=CC=CC=C2)C3=C(C=CC=C3F)F)C(=O)OC

InChI

InChI=1S/C20H18F2N2O2S/c1-3-15-17(19(25)26-2)18(16-13(21)10-7-11-14(16)22)23-20(27)24(15)12-8-5-4-6-9-12/h4-11,18H,3H2,1-2H3,(H,23,27)/t18-/m1/s1