2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylthio]nicotinic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S/c1-9-7-17-12(10(2)13(9)20-3)8-21-14-11(15(18)19)5-4-6-16-14/h4-7H,8H2,1-3H3,(H,18,19)