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

Systemtic Name: 2-[(2,6-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2,6-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2,6-dimethoxyphenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2,6-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2,6-dimethoxybenzyl)thio]nicotinic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H15NO4S/c1-19-12-6-3-7-13(20-2)11(12)9-21-14-10(15(17)18)5-4-8-16-14/h3-8H,9H2,1-2H3,(H,17,18)