2-[(2-methoxypyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-methoxypyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2-methoxy-4-pyridyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-methoxy-4-pyridinyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-methoxypyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2-methoxy-4-pyridyl)methylthio]nicotinic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3S/c1-18-11-7-9(4-6-14-11)8-19-12-10(13(16)17)3-2-5-15-12/h2-7H,8H2,1H3,(H,16,17)