(4-bromophenyl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: (4-bromophenyl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: (4-bromophenyl)methyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid (4-bromobenzyl) ester Formula: C21H13BrClNO2S MolecularWeight: 458.75542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H13BrClNO2S/c22-14-7-5-13(6-8-14)12-26-21(25)16-11-18(19-9-10-20(23)27-19)24-17-4-2-1-3-15(16)17/h1-11H,12H2