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

Systemtic Name: methyl (6R)-6-(4-ethoxyphenyl)-3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(4-ethoxyphenyl)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-6-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:

CCOC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)C3=CC(=C(C=C3)C)F)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2C(=C(N(C(=S)N2)C3=CC(=C(C=C3)C)F)C)C(=O)OC

InChI

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