[1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-1-methyl-2-oxo-ethyl] 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-(phenylthio)phenyl]-5-isoindolecarboxylic acid [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[4-(phenylthio)phenyl]isoindoline-5-carboxylic acid [2-(4-benzoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C37H27NO6S MolecularWeight: 613.67838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)SC6=CC=CC=C6

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)SC6=CC=CC=C6

InChI

InChI=1S/C37H27NO6S/c1-24(34(39)26-12-17-29(18-13-26)43-23-25-8-4-2-5-9-25)44-37(42)27-14-21-32-33(22-27)36(41)38(35(32)40)28-15-19-31(20-16-28)45-30-10-6-3-7-11-30/h2-22,24H,23H2,1H3