2-[2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C23H13N3O5S2 MolecularWeight: 475.49642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H13N3O5S2/c27-19(13-5-7-14(8-6-13)26(30)31)12-32-23-24-18-10-9-15(11-20(18)33-23)25-21(28)16-3-1-2-4-17(16)22(25)29/h1-11H,12H2