(2-oxidanylidene-2-thiophen-2-yl-ethyl) 6-bromanyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 6-bromanyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 6-bromo-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-3,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 6-bromo-3,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-3,8-dimethyl-2-phenyl-cinchoninic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C24H18BrNO3S MolecularWeight: 480.37362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18BrNO3S/c1-14-11-17(25)12-18-21(24(28)29-13-19(27)20-9-6-10-30-20)15(2)23(26-22(14)18)16-7-4-3-5-8-16/h3-12H,13H2,1-2H3