[2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[4-[(4-bromophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[4-(4-bromobenzoyl)oxyphenyl]-2-keto-ethyl] ester Formula: C29H18BrNO5S MolecularWeight: 572.42592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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