2-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-methoxy-3-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-methoxy-3-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)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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