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

Systemtic Name: ethyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)OCC#N)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=CC=C(C=C2)OCC#N)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C23H23N3O3S/c1-4-28-22(27)20-16(3)26(18-9-5-15(2)6-10-18)23(30)25-21(20)17-7-11-19(12-8-17)29-14-13-24/h5-12,21H,4,14H2,1-3H3,(H,25,30)/t21-/m1/s1