[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C22H13BrClNO3S MolecularWeight: 486.76552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13BrClNO3S/c23-14-7-5-13(6-8-14)19(26)12-28-22(27)16-11-18(20-9-10-21(24)29-20)25-17-4-2-1-3-15(16)17/h1-11H,12H2