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

Systemtic Name: [2-[4-(furan-2-ylcarbonyloxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-[4-(furan-2-carbonyloxy)phenyl]-2-oxo-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-[4-[2-furanyl(oxo)methoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyloxy)phenyl]-2-oxoethyl] 6-bromo-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-(2-thienyl)cinchoninic acid [2-[4-(2-furoyloxy)phenyl]-2-keto-ethyl] ester Formula: C28H18BrNO6S MolecularWeight: 576.41462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)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(=C1)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CO5

InChI

InChI=1S/C28H18BrNO6S/c1-16-12-18(29)13-20-21(14-22(30-26(16)20)25-5-3-11-37-25)27(32)35-15-23(31)17-6-8-19(9-7-17)36-28(33)24-4-2-10-34-24/h2-14H,15H2,1H3