methyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(NC2=S)C3=CC=C(C=C3)OCC#N)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C([C@H](NC2=S)C3=CC=C(C=C3)OCC#N)C(=O)OC)C

InChI

InChI=1S/C22H21N3O3S/c1-14-4-8-17(9-5-14)25-15(2)19(21(26)27-3)20(24-22(25)29)16-6-10-18(11-7-16)28-13-12-23/h4-11,20H,13H2,1-3H3,(H,24,29)/t20-/m1/s1