(2,5-dimethoxyphenyl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (2,5-dimethoxyphenyl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (2,5-dimethoxyphenyl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (2,5-dimethoxybenzyl) ester Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4S/c1-19-12-6-7-14(20-2)11(9-12)10-21-16(18)13-5-4-8-17-15(13)22-3/h4-9H,10H2,1-3H3