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

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C22H15BrN2O3S MolecularWeight: 467.3351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H15BrN2O3S/c23-14-5-3-6-15(11-14)24-21(26)13-28-22(27)17-12-19(20-9-4-10-29-20)25-18-8-2-1-7-16(17)18/h1-12H,13H2,(H,24,26)