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

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 6-bromanyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 6-bromo-8-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 6-bromo-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-(2-thienyl)cinchoninic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C21H14BrNO3S2 MolecularWeight: 472.37476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=CS4

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H14BrNO3S2/c1-12-8-13(22)9-14-15(10-16(23-20(12)14)18-4-2-6-27-18)21(25)26-11-17(24)19-5-3-7-28-19/h2-10H,11H2,1H3