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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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