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

Systemtic Name: 2-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-quinone Formula: C27H17N3O5S2 MolecularWeight: 527.57098

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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=CC6=C5C(=CC=C6)C4=O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C27H17N3O5S2/c1-35-22-11-9-18(30(33)34)12-16(22)14-36-27-28-21-10-8-17(13-23(21)37-27)29-25(31)19-6-2-4-15-5-3-7-20(24(15)19)26(29)32/h2-13H,14H2,1H3