(4Z)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(3-methylbutoxy)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-ethoxy-4-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione Openeye Name: (4Z)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-isopentyloxy-phenyl)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-ethoxy-4-(3-methylbutoxy)phenyl]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-ethoxy-4-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione Traditional Name: (4Z)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-isoamoxy-phenyl)pyrrolidine-2,3-quinone Formula: C35H36N2O7S MolecularWeight: 628.73454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C)OCCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2/C(=C(\C3=CC4=C(C=C3)OCCO4)/O)/C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C)OCCC(C)C

InChI

InChI=1S/C35H36N2O7S/c1-6-41-26-17-22(7-9-24(26)42-12-11-19(2)3)31-29(32(38)23-8-10-25-27(18-23)44-14-13-43-25)33(39)34(40)37(31)35-36-30-21(5)15-20(4)16-28(30)45-35/h7-10,15-19,31,38H,6,11-14H2,1-5H3/b32-29-