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

Systemtic Name: (4Z)-5-(3-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Openeye Name: (4Z)-5-(3-butoxyphenyl)-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)-5-(3-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4Z)-5-(3-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4Z)-5-(3-butoxyphenyl)-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: C32H30N2O6S MolecularWeight: 570.6554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C

Isomeric SMILES

CCCCOC1=CC=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

InChI

InChI=1S/C32H30N2O6S/c1-4-5-11-38-22-8-6-7-20(16-22)28-26(29(35)21-9-10-23-24(17-21)40-13-12-39-23)30(36)31(37)34(28)32-33-27-19(3)14-18(2)15-25(27)41-32/h6-10,14-17,28,35H,4-5,11-13H2,1-3H3/b29-26-