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

Systemtic Name: 2-[4-[2-(3-carboxypyridin-2-yl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[2-[(3-carboxy-2-pyridyl)sulfanyl]propanoylamino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[(3-carboxy-2-pyridinyl)thio]-1-oxopropyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[2-(3-carboxypyridin-2-yl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[2-[(3-carboxy-2-pyridyl)thio]propanoylamino]phenyl]cinchoninic acid Formula: C25H19N3O5S MolecularWeight: 473.50046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)SC4=C(C=CC=N4)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)SC4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C25H19N3O5S/c1-14(34-23-18(24(30)31)6-4-12-26-23)22(29)27-16-10-8-15(9-11-16)21-13-19(25(32)33)17-5-2-3-7-20(17)28-21/h2-14H,1H3,(H,27,29)(H,30,31)(H,32,33)