ethyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[4-(cyanomethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-[4-(cyanomethoxy)phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-2-26-20(25)17-18(14-6-4-3-5-7-14)23-21(28)24-19(17)15-8-10-16(11-9-15)27-13-12-22/h3-11,19H,2,13H2,1H3,(H2,23,24,28)/t19-/m1/s1