2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-(2,5-dimethylphenoxy)ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-(2,5-dimethylphenoxy)ethylthio]nicotinic acid Formula: C16H17NO3S MolecularWeight: 303.37608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3S/c1-11-5-6-12(2)14(10-11)20-8-9-21-15-13(16(18)19)4-3-7-17-15/h3-7,10H,8-9H2,1-2H3,(H,18,19)