[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-(phenylthio)phenyl]-5-isoindolecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[4-(phenylthio)phenyl]isoindoline-5-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C29H18BrNO5S MolecularWeight: 572.42592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=C(C=C5)Br

InChI

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