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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(2-sulfanylphenyl)isoindole-5-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 1,3-dioxo-2-(2-sulfanylphenyl)isoindoline-5-carboxylate CAS Name: 2-(2-mercaptophenyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 1,3-dioxo-2-(2-sulfanylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(2-mercaptophenyl)isoindoline-5-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C23H14BrNO5S MolecularWeight: 496.32996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br)S

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br)S

InChI

InChI=1S/C23H14BrNO5S/c24-15-8-5-13(6-9-15)19(26)12-30-23(29)14-7-10-16-17(11-14)22(28)25(21(16)27)18-3-1-2-4-20(18)31/h1-11,31H,12H2