5-ethylsulfanylpyridine-3-carboxylic acid

Systemtic Name: 5-ethylsulfanylpyridine-3-carboxylic acid Openeye Name: 5-ethylsulfanylpyridine-3-carboxylic acid CAS Name: 5-(ethylthio)-3-pyridinecarboxylic acid IUPAC Name: 5-ethylsulfanylpyridine-3-carboxylic acid Traditional Name: 5-(ethylthio)nicotinic acid Formula: C8H9NO2S MolecularWeight: 183.22756

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CN=CC(=C1)C(=O)O

Isomeric SMILES

CCSC1=CN=CC(=C1)C(=O)O

InChI

InChI=1S/C8H9NO2S/c1-2-12-7-3-6(8(10)11)4-9-5-7/h3-5H,2H2,1H3,(H,10,11)