[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C22H14BrNO3S MolecularWeight: 452.32046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H14BrNO3S/c23-15-6-3-5-14(11-15)20(25)13-27-22(26)17-12-19(21-9-4-10-28-21)24-18-8-2-1-7-16(17)18/h1-12H,13H2