(4-bromanyl-2,5-dimethoxy-phenyl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (4-bromanyl-2,5-dimethoxy-phenyl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (4-bromo-2,5-dimethoxy-phenyl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (4-bromo-2,5-dimethoxyphenyl)methyl ester IUPAC Name: (4-bromo-2,5-dimethoxyphenyl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (4-bromo-2,5-dimethoxy-benzyl) ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1COC(=O)C2=C(N=CC=C2)SC)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1COC(=O)C2=C(N=CC=C2)SC)OC)Br

InChI

InChI=1S/C16H16BrNO4S/c1-20-13-8-12(17)14(21-2)7-10(13)9-22-16(19)11-5-4-6-18-15(11)23-3/h4-8H,9H2,1-3H3