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

Systemtic Name: 2-[(2-propan-2-yloxypyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2-isopropoxy-4-pyridyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-propan-2-yloxy-4-pyridinyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-propan-2-yloxypyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2-isopropoxy-4-pyridyl)methylthio]nicotinic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C)OC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H16N2O3S/c1-10(2)20-13-8-11(5-7-16-13)9-21-14-12(15(18)19)4-3-6-17-14/h3-8,10H,9H2,1-2H3,(H,18,19)