tert-butyl 2-(4-acetyloxyphenyl)sulfanyl-2-[1,3-bis(oxidanylidene)isoindol-2-yl]oxy-ethanoate

Systemtic Name: tert-butyl 2-(4-acetyloxyphenyl)sulfanyl-2-[1,3-bis(oxidanylidene)isoindol-2-yl]oxy-ethanoate Openeye Name: tert-butyl 2-(4-acetoxyphenyl)sulfanyl-2-(1,3-dioxoisoindolin-2-yl)oxy-acetate CAS Name: 2-[(4-acetyloxyphenyl)thio]-2-[(1,3-dioxo-2-isoindolyl)oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-acetyloxyphenyl)sulfanyl-2-(1,3-dioxoisoindol-2-yl)oxyacetate Traditional Name: 2-[(4-acetoxyphenyl)thio]-2-phthalimidooxy-acetic acid tert-butyl ester Formula: C22H21NO7S MolecularWeight: 443.46964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)SC(C(=O)OC(C)(C)C)ON2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)SC(C(=O)OC(C)(C)C)ON2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO7S/c1-13(24)28-14-9-11-15(12-10-14)31-21(20(27)29-22(2,3)4)30-23-18(25)16-7-5-6-8-17(16)19(23)26/h5-12,21H,1-4H3