2-[4-(2-pyridin-2-ylsulfanylpropanoylamino)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(2-pyridin-2-ylsulfanylpropanoylamino)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[2-(2-pyridylsulfanyl)propanoylamino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[1-oxo-2-(2-pyridinylthio)propyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2-pyridin-2-ylsulfanylpropanoylamino)phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[2-(2-pyridylthio)propanoylamino]phenyl]cinchoninic acid Formula: C24H19N3O3S MolecularWeight: 429.49096

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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=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O3S/c1-15(31-22-8-4-5-13-25-22)23(28)26-17-11-9-16(10-12-17)21-14-19(24(29)30)18-6-2-3-7-20(18)27-21/h2-15H,1H3,(H,26,28)(H,29,30)