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

Systemtic Name: methyl (6S)-6-[2,4-bis(fluoranyl)phenyl]-4-ethyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(2,4-difluorophenyl)-4-ethyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2,4-difluorophenyl)-4-ethyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(2,4-difluorophenyl)-4-ethyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(2,4-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=C(C=C3)F)F)C(=O)OC

Isomeric SMILES

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

InChI

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