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

Systemtic Name: 2-(2-carboxyethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(2-carboxyethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(2-carboxyethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(2-carboxyethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(2-carboxyethylthio)nicotinic acid Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCCC(=O)O)C(=O)O

InChI

InChI=1S/C9H9NO4S/c11-7(12)3-5-15-8-6(9(13)14)2-1-4-10-8/h1-2,4H,3,5H2,(H,11,12)(H,13,14)