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

Systemtic Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-(cyanomethoxy)phenyl]-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[4-(cyanomethoxy)phenyl]-3-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)OCC#N)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S/c1-3-7-19-20(22(27)28-2)21(16-10-12-18(13-11-16)29-15-14-24)25-23(30)26(19)17-8-5-4-6-9-17/h4-6,8-13,21H,3,7,15H2,1-2H3,(H,25,30)/t21-/m1/s1