2-(3-bromanylphenoxy)ethyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: 2-(3-bromophenoxy)ethyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid 2-(3-bromophenoxy)ethyl ester Formula: C22H16BrNO3S MolecularWeight: 454.33634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCCOC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCCOC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H16BrNO3S/c23-15-5-3-6-16(13-15)26-10-11-27-22(25)18-14-20(21-9-4-12-28-21)24-19-8-2-1-7-17(18)19/h1-9,12-14H,10-11H2