tert-butyl 2-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoate Openeye Name: tert-butyl 2-[6-(1,3-dioxoisoindolin-2-yl)-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetate CAS Name: 2-[6-(1,3-dioxo-2-isoindolyl)-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-(1,3-dioxoisoindol-2-yl)-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetate Traditional Name: 2-(5-keto-3-phenyl-6-phthalimido-1,4-thiazepan-4-yl)acetic acid tert-butyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(CSCC(C1=O)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(CSCC(C1=O)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

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