2-(4-ethylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(4-ethylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(4-ethylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(4-ethylsulfonylphenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-ethylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(4-esylphenyl)thio]nicotinic acid Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H13NO4S2/c1-2-21(18,19)11-7-5-10(6-8-11)20-13-12(14(16)17)4-3-9-15-13/h3-9H,2H2,1H3,(H,16,17)