(4Z)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-pentoxyphenyl)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-pentoxyphenyl)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-pentoxyphenyl)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-pentoxyphenyl)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-pentoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4Z)-5-(3-amoxyphenyl)-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: C33H32N2O6S MolecularWeight: 584.68198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=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

CCCCCOC1=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/C33H32N2O6S/c1-4-5-6-12-39-23-9-7-8-21(17-23)29-27(30(36)22-10-11-24-25(18-22)41-14-13-40-24)31(37)32(38)35(29)33-34-28-20(3)15-19(2)16-26(28)42-33/h7-11,15-18,29,36H,4-6,12-14H2,1-3H3/b30-27-