(5-oxidanylidene-1,4-thiazepan-4-yl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,3-dimethyl-2-phenyl-butanoate

Systemtic Name: (5-oxidanylidene-1,4-thiazepan-4-yl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,3-dimethyl-2-phenyl-butanoate Openeye Name: (5-oxo-1,4-thiazepan-4-yl) 2-(1,3-dioxoisoindolin-2-yl)-3,3-dimethyl-2-phenyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3,3-dimethyl-2-phenylbutanoic acid (5-oxo-1,4-thiazepan-4-yl) ester IUPAC Name: (5-oxo-1,4-thiazepan-4-yl) 2-(1,3-dioxoisoindol-2-yl)-3,3-dimethyl-2-phenylbutanoate Traditional Name: 3,3-dimethyl-2-phenyl-2-phthalimido-butyric acid (5-keto-1,4-thiazepan-4-yl) ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CC=CC=C1)(C(=O)ON2CCSCCC2=O)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)(C)C(C1=CC=CC=C1)(C(=O)ON2CCSCCC2=O)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H26N2O5S/c1-24(2,3)25(17-9-5-4-6-10-17,23(31)32-26-14-16-33-15-13-20(26)28)27-21(29)18-11-7-8-12-19(18)22(27)30/h4-12H,13-16H2,1-3H3