(4-bromophenyl) 6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: (4-bromophenyl) 6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: (4-bromophenyl) 6,8-dimethyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-thiophen-2-yl-4-quinolinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-(2-thienyl)cinchoninic acid (4-bromophenyl) ester Formula: C22H16BrNO2S MolecularWeight: 438.33694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C22H16BrNO2S/c1-13-10-14(2)21-17(11-13)18(12-19(24-21)20-4-3-9-27-20)22(25)26-16-7-5-15(23)6-8-16/h3-12H,1-2H3