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

Systemtic Name: 4-nitro-2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-quinone Formula: C21H16N4O5S2 MolecularWeight: 468.50554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S2/c26-17(23-8-1-2-9-23)11-31-21-22-14-7-6-12(10-16(14)32-21)24-19(27)13-4-3-5-15(25(29)30)18(13)20(24)28/h3-7,10H,1-2,8-9,11H2