2-(carboxymethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(carboxymethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(carboxymethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(carboxymethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(carboxymethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(carboxymethylthio)nicotinic acid Formula: C8H7NO4S MolecularWeight: 213.21048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO4S/c10-6(11)4-14-7-5(8(12)13)2-1-3-9-7/h1-3H,4H2,(H,10,11)(H,12,13)