(4Z)-5-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione

Systemtic Name: (4Z)-5-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Openeye Name: (4Z)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4Z)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4Z)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4Z)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C29H23BrN2O8S MolecularWeight: 639.47052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=C(C(=C6)Br)O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3C(/C(=C(\C4=CC5=C(C=C4)OCCO5)/O)/C(=O)C3=O)C6=CC(=C(C(=C6)Br)O)OC

InChI

InChI=1S/C29H23BrN2O8S/c1-3-38-16-5-6-18-22(13-16)41-29(31-18)32-24(15-10-17(30)26(34)21(12-15)37-2)23(27(35)28(32)36)25(33)14-4-7-19-20(11-14)40-9-8-39-19/h4-7,10-13,24,33-34H,3,8-9H2,1-2H3/b25-23-