[2-[4-(furan-2-ylcarbonyloxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(furan-2-ylcarbonyloxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-[4-(furan-2-carbonyloxy)phenyl]-2-oxo-ethyl] 6-bromo-7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-8-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[4-[2-furanyl(oxo)methoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyloxy)phenyl]-2-oxoethyl] 6-bromo-7-chloro-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-8-methyl-2-(2-thienyl)cinchoninic acid [2-[4-(2-furoyloxy)phenyl]-2-keto-ethyl] ester Formula: C28H17BrClNO6S MolecularWeight: 610.85968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CO5

Isomeric SMILES

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CO5

InChI

InChI=1S/C28H17BrClNO6S/c1-15-25(30)20(29)12-18-19(13-21(31-26(15)18)24-5-3-11-38-24)27(33)36-14-22(32)16-6-8-17(9-7-16)37-28(34)23-4-2-10-35-23/h2-13H,14H2,1H3