2-[(4-ethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(4-ethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(4-ethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(4-ethoxyphenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(4-ethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(4-ethoxybenzyl)thio]nicotinic acid Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H15NO3S/c1-2-19-12-7-5-11(6-8-12)10-20-14-13(15(17)18)4-3-9-16-14/h3-9H,2,10H2,1H3,(H,17,18)