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

Systemtic Name: methyl (4R)-4-[2-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-4-[2-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[2-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-[2-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-[2-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H16BrN3O4S MolecularWeight: 426.28494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2Br)OCC#N)OC)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=CC(=C(C=C2Br)OCC#N)OC)C(=O)OC

InChI

InChI=1S/C16H16BrN3O4S/c1-8-13(15(21)23-3)14(20-16(25)19-8)9-6-11(22-2)12(7-10(9)17)24-5-4-18/h6-7,14H,5H2,1-3H3,(H2,19,20,25)/t14-/m0/s1