[2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 8-chloranyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 8-chloranyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxo-ethyl] 8-chloro-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 8-chloro-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] 8-chloro-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 8-chloro-2-(2-thienyl)cinchoninic acid [2-[4-(4-bromobenzoyl)oxyphenyl]-2-keto-ethyl] ester Formula: C29H17BrClNO5S MolecularWeight: 606.87098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)C5=CC=CS5

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)C5=CC=CS5

InChI

InChI=1S/C29H17BrClNO5S/c30-19-10-6-18(7-11-19)28(34)37-20-12-8-17(9-13-20)25(33)16-36-29(35)22-15-24(26-5-2-14-38-26)32-27-21(22)3-1-4-23(27)31/h1-15H,16H2