1,3-benzothiazol-2-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C24H15BrN2O2S MolecularWeight: 475.3571

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H15BrN2O2S/c25-16-11-9-15(10-12-16)21-13-18(17-5-1-2-6-19(17)26-21)24(28)29-14-23-27-20-7-3-4-8-22(20)30-23/h1-13H,14H2