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

Systemtic Name: 2-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C23H15N3O5S2 MolecularWeight: 477.5123

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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=CC=CC=C5C4=O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H15N3O5S2/c1-31-19-9-7-15(26(29)30)10-13(19)12-32-23-24-18-8-6-14(11-20(18)33-23)25-21(27)16-4-2-3-5-17(16)22(25)28/h2-11H,12H2,1H3