(4-bromanyl-2-chloranyl-phenyl) 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (4-bromo-2-chloro-phenyl) 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (4-bromo-2-chloro-phenyl) ester Formula: C20H11BrClNO2S MolecularWeight: 444.72884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C20H11BrClNO2S/c21-12-7-8-18(15(22)10-12)25-20(24)14-11-17(19-6-3-9-26-19)23-16-5-2-1-4-13(14)16/h1-11H