2-[4-[2-(3-carboxypyridin-2-yl)sulfanylethanoylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[2-(3-carboxypyridin-2-yl)sulfanylethanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-[(3-carboxy-2-pyridyl)sulfanyl]acetyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[(3-carboxy-2-pyridinyl)thio]-1-oxoethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-(3-carboxypyridin-2-yl)sulfanylacetyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-[(3-carboxy-2-pyridyl)thio]acetyl]amino]phenyl]cinchoninic acid Formula: C24H17N3O5S MolecularWeight: 459.47388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)CSC4=C(C=CC=N4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)CSC4=C(C=CC=N4)C(=O)O)C(=O)O

InChI

InChI=1S/C24H17N3O5S/c28-21(13-33-22-17(23(29)30)5-3-11-25-22)26-15-9-7-14(8-10-15)20-12-18(24(31)32)16-4-1-2-6-19(16)27-20/h1-12H,13H2,(H,26,28)(H,29,30)(H,31,32)