(8Z)-8-{[(2,2-Dioxido-1,3-Dihydro-2-Benzothiophen-5-Yl)Amino]Methylene}-6,8-Dihydro-7H-[1,3]Thiazolo[5,4-E]Indol-7-One

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Formula C18H13N3O3S2
IUPAC Name (8z)-8-[[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]methylene]-6h-pyrrolo[2,3-g][1,3]benzothiazol-7-one
Molecular Mass 383.444 g·mol−1
Heat of Formation -130.4 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 401.29 Å 3
Surface Area 358.96 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • (8z)-8-[[(2,2-diketo-1,3-dihydroisobenzothiophen-5-yl)amino]methylene]-6h-pyrrolo[5,4-g][1,3]benzothiazol-7-one
  • (8z)-8-[[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]methylene]-6h-pyrrolo[5,4-g][1,3]benzothiazol-7-one
  • (8z)-8-[[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene]-6h-pyrrolo[5,4-g][1,3]benzothiazol-7-one
  • oxindole-based inhibitor 108
InChIKey DOXLZSAKRJWFJV-MLPAPPSSSA-N
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