2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-methoxy-5-methylphenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2-methoxy-5-methyl-benzyl)thio]nicotinic acid Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H15NO3S/c1-10-5-6-13(19-2)11(8-10)9-20-14-12(15(17)18)4-3-7-16-14/h3-8H,9H2,1-2H3,(H,17,18)