2-(2-ethylsulfonylethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(2-ethylsulfonylethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(2-ethylsulfonylethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(2-ethylsulfonylethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(2-ethylsulfonylethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(2-esylethylthio)nicotinic acid Formula: C10H13NO4S2 MolecularWeight: 275.34452

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CCS(=O)(=O)CCSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C10H13NO4S2/c1-2-17(14,15)7-6-16-9-8(10(12)13)4-3-5-11-9/h3-5H,2,6-7H2,1H3,(H,12,13)