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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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