2-[[(8-oxidanylquinolin-7-yl)-thiophen-2-yl-methyl]amino]benzoic acid

Systemtic Name: 2-[[(8-oxidanylquinolin-7-yl)-thiophen-2-yl-methyl]amino]benzoic acid Openeye Name: 2-[[(8-hydroxy-7-quinolyl)-(2-thienyl)methyl]amino]benzoic acid CAS Name: 2-[[(8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]amino]benzoic acid IUPAC Name: 2-[[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]amino]benzoic acid Traditional Name: 2-[[(8-hydroxy-7-quinolyl)-(2-thienyl)methyl]amino]benzoic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CS4

InChI

InChI=1S/C21H16N2O3S/c24-20-15(10-9-13-5-3-11-22-18(13)20)19(17-8-4-12-27-17)23-16-7-2-1-6-14(16)21(25)26/h1-12,19,23-24H,(H,25,26)