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

Systemtic Name: 2-[4-(2-pyridin-2-ylsulfanylethanoylamino)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-(2-pyridylsulfanyl)acetyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-(2-pyridylthio)acetyl]amino]phenyl]cinchoninic acid Formula: C23H17N3O3S MolecularWeight: 415.46438

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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=CC=CC=N4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H17N3O3S/c27-21(14-30-22-7-3-4-12-24-22)25-16-10-8-15(9-11-16)20-13-18(23(28)29)17-5-1-2-6-19(17)26-20/h1-13H,14H2,(H,25,27)(H,28,29)