(2-oxidanylidene-2-thiophen-2-yl-ethyl) 6-bromanyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 6-bromanyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 6-bromo-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-methoxyphenyl)-8-methyl-4-quinolinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 6-bromo-2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-methoxyphenyl)-8-methyl-cinchoninic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C24H18BrNO4S MolecularWeight: 496.37302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC(=CC=C3)OC)C(=O)OCC(=O)C4=CC=CS4

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC(=CC=C3)OC)C(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C24H18BrNO4S/c1-14-9-16(25)11-18-19(24(28)30-13-21(27)22-7-4-8-31-22)12-20(26-23(14)18)15-5-3-6-17(10-15)29-2/h3-12H,13H2,1-2H3