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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C2=C(N=CC=C2)SC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C2=C(N=CC=C2)SC)Br)OC

InChI

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