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

Systemtic Name: ethyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[4-(cyanomethoxy)phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-[4-(cyanomethoxy)phenyl]-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCC#N)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1)C2=CC=C(C=C2)OCC#N)C(=O)OCC

InChI

InChI=1S/C18H21N3O3S/c1-3-5-14-15(17(22)23-4-2)16(21-18(25)20-14)12-6-8-13(9-7-12)24-11-10-19/h6-9,16H,3-5,11H2,1-2H3,(H2,20,21,25)/t16-/m1/s1