2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-methyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-[(2,4-dimethoxyphenyl)methylthio]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-[(2,4-dimethoxybenzyl)thio]-6-methyl-nicotinic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)O)SCC2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)O)SCC2=C(C=C(C=C2)OC)OC

InChI

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