2-[2-(2-carboxyethylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(2-carboxyethylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2-carboxyethylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2-carboxyethylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2-carboxyethylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2-carboxyethylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5S/c14-8(12-5-3-9(15)16)6-19-10-7(11(17)18)2-1-4-13-10/h1-2,4H,3,5-6H2,(H,12,14)(H,15,16)(H,17,18)