methyl (6R)-4-ethyl-6-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-4-ethyl-6-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-4-ethyl-6-(3-fluorophenyl)-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-4-ethyl-6-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-4-ethyl-6-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-4-ethyl-6-(3-fluorophenyl)-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19FN2O2S MolecularWeight: 370.440463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O2S/c1-3-16-17(19(24)25-2)18(13-8-7-9-14(21)12-13)22-20(26)23(16)15-10-5-4-6-11-15/h4-12,18H,3H2,1-2H3,(H,22,26)/t18-/m1/s1