2-[2-(3-methylphenoxy)ethylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(3-methylphenoxy)ethylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-(3-methylphenoxy)ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-(3-methylphenoxy)ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(3-methylphenoxy)ethylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-(3-methylphenoxy)ethylthio]nicotinic acid Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H15NO3S/c1-11-4-2-5-12(10-11)19-8-9-20-14-13(15(17)18)6-3-7-16-14/h2-7,10H,8-9H2,1H3,(H,17,18)