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

Systemtic Name: methyl (6R)-6-(3-fluorophenyl)-3-(4-methoxyphenyl)-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(3-fluorophenyl)-3-(4-methoxyphenyl)-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(3-fluorophenyl)-3-(4-methoxyphenyl)-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(3-fluorophenyl)-3-(4-methoxyphenyl)-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(3-fluorophenyl)-3-(4-methoxyphenyl)-4-propyl-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:

CCCC1=C(C(NC(=S)N1C2=CC=C(C=C2)OC)C3=CC(=CC=C3)F)C(=O)OC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1C2=CC=C(C=C2)OC)C3=CC(=CC=C3)F)C(=O)OC

InChI

InChI=1S/C22H23FN2O3S/c1-4-6-18-19(21(26)28-3)20(14-7-5-8-15(23)13-14)24-22(29)25(18)16-9-11-17(27-2)12-10-16/h5,7-13,20H,4,6H2,1-3H3,(H,24,29)/t20-/m1/s1