(4Z)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[3-(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-(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-isopentyloxyphenyl)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-(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-(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-isoamoxyphenyl)pyrrolidine-2,3-quinone Formula: C33H32N2O6S MolecularWeight: 584.68198

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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(=CC=C6)OCCC(C)C)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(=CC=C6)OCCC(C)C)C

InChI

InChI=1S/C33H32N2O6S/c1-18(2)10-11-39-23-7-5-6-21(16-23)29-27(30(36)22-8-9-24-25(17-22)41-13-12-40-24)31(37)32(38)35(29)33-34-28-20(4)14-19(3)15-26(28)42-33/h5-9,14-18,29,36H,10-13H2,1-4H3/b30-27-