(3,3-dimethyl-2-oxidanylidene-butyl) 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-(phenylthio)phenyl]-5-isoindolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[4-(phenylthio)phenyl]isoindoline-5-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C27H23NO5S MolecularWeight: 473.54022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C27H23NO5S/c1-27(2,3)23(29)16-33-26(32)17-9-14-21-22(15-17)25(31)28(24(21)30)18-10-12-20(13-11-18)34-19-7-5-4-6-8-19/h4-15H,16H2,1-3H3