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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1SC2=C(C=CC=N2)C(=O)O

InChI

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