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

Systemtic Name: ethyl (6R)-3-(4-ethoxyphenyl)-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-3-(4-ethoxyphenyl)-6-(3-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(4-ethoxyphenyl)-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3-(4-ethoxyphenyl)-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(3-fluorophenyl)-4-methyl-3-p-phenetyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H23FN2O3S MolecularWeight: 414.493023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C(C(NC2=S)C3=CC(=CC=C3)F)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C([C@H](NC2=S)C3=CC(=CC=C3)F)C(=O)OCC)C

InChI

InChI=1S/C22H23FN2O3S/c1-4-27-18-11-9-17(10-12-18)25-14(3)19(21(26)28-5-2)20(24-22(25)29)15-7-6-8-16(23)13-15/h6-13,20H,4-5H2,1-3H3,(H,24,29)/t20-/m1/s1