[2-oxidanylidene-2-[4-(phenylcarbonyloxy)phenyl]ethyl] 6-bromanyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbonyloxy)phenyl]ethyl] 6-bromanyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-(4-benzoyloxyphenyl)-2-oxo-ethyl] 6-bromo-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(4-benzoyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-benzoyloxyphenyl)-2-oxoethyl] 6-bromo-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(2-thienyl)cinchoninic acid [2-(4-benzoyloxyphenyl)-2-keto-ethyl] ester Formula: C29H18BrNO5S MolecularWeight: 572.42592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CS5

InChI

InChI=1S/C29H18BrNO5S/c30-20-10-13-24-22(15-20)23(16-25(31-24)27-7-4-14-37-27)29(34)35-17-26(32)18-8-11-21(12-9-18)36-28(33)19-5-2-1-3-6-19/h1-16H,17H2