2-[(2,4-dimethoxy-3-methyl-phenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2,4-dimethoxy-3-methyl-phenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2,4-dimethoxy-3-methyl-phenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2,4-dimethoxy-3-methylphenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2,4-dimethoxy-3-methylphenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2,4-dimethoxy-3-methyl-benzyl)thio]nicotinic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)CSC2=C(C=CC=N2)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)CSC2=C(C=CC=N2)C(=O)O)OC

InChI

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