[5,7-bis(bromanyl)quinolin-8-yl] 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate Openeye Name: (5,7-dibromo-8-quinolyl) 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate CAS Name: 2-(1,3-benzothiazol-2-yl)-3-pyridinecarboxylic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-yl)nicotinic acid (5,7-dibromo-8-quinolyl) ester Formula: C22H11Br2N3O2S MolecularWeight: 541.21464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=N3)C(=O)OC4=C(C=C(C5=C4N=CC=C5)Br)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=N3)C(=O)OC4=C(C=C(C5=C4N=CC=C5)Br)Br

InChI

InChI=1S/C22H11Br2N3O2S/c23-14-11-15(24)20(18-12(14)5-3-9-25-18)29-22(28)13-6-4-10-26-19(13)21-27-16-7-1-2-8-17(16)30-21/h1-11H