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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)OCC#N)C(=O)OC(C)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)OCC#N)C(=O)OC(C)C

InChI

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