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

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: (5,7-dibromo-8-quinolyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid (5,7-dibromo-8-quinolyl) ester Formula: C21H10Br2N2O2S2 MolecularWeight: 546.2543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)OC4=C(C=C(C5=C4N=CC=C5)Br)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)OC4=C(C=C(C5=C4N=CC=C5)Br)Br

InChI

InChI=1S/C21H10Br2N2O2S2/c22-12-10-13(23)19(18-11(12)4-3-9-24-18)27-21(26)17-8-7-16(28-17)20-25-14-5-1-2-6-15(14)29-20/h1-10H