2-[2-(4-methoxyphenyl)ethylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(4-methoxyphenyl)ethylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-(4-methoxyphenyl)ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-(4-methoxyphenyl)ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-methoxyphenyl)ethylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-(4-methoxyphenyl)ethylthio]nicotinic acid Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCSC2=C(C=CC=N2)C(=O)O

InChI

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