2-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]-5-nitro-isoindoline-1,3-quinone Formula: C23H14N4O7S2 MolecularWeight: 522.50986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H14N4O7S2/c1-34-19-7-4-14(26(30)31)8-12(19)11-35-23-24-18-6-3-13(10-20(18)36-23)25-21(28)16-5-2-15(27(32)33)9-17(16)22(25)29/h2-10H,11H2,1H3