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

Systemtic Name: (4Z)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-methoxy-4-phenylmethoxy-phenyl)pyrrolidine-2,3-dione Openeye Name: (4Z)-5-(4-benzyloxy-3-methoxy-phenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4Z)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-methoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4Z)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-methoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4Z)-5-(4-benzoxy-3-methoxy-phenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C36H30N2O7S MolecularWeight: 634.6976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=C(C=C6)OCC7=CC=CC=C7)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(/C(=C(\C4=CC5=C(C=C4)OCCO5)/O)/C(=O)C3=O)C6=CC(=C(C=C6)OCC7=CC=CC=C7)OC)C

InChI

InChI=1S/C36H30N2O7S/c1-20-15-21(2)31-29(16-20)46-36(37-31)38-32(23-9-11-25(27(17-23)42-3)45-19-22-7-5-4-6-8-22)30(34(40)35(38)41)33(39)24-10-12-26-28(18-24)44-14-13-43-26/h4-12,15-18,32,39H,13-14,19H2,1-3H3/b33-30-