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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2)C3=CC=C(C=C3)F)C

Isomeric SMILES

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

InChI

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