(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-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-ethoxy-4-phenylmethoxy-phenyl)pyrrolidine-2,3-dione Openeye Name: (4Z)-5-(4-benzyloxy-3-ethoxy-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-ethoxy-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-ethoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4Z)-5-(4-benzoxy-3-ethoxy-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: C37H32N2O7S MolecularWeight: 648.72418

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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)OCC7=CC=CC=C7

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)OCC7=CC=CC=C7

InChI

InChI=1S/C37H32N2O7S/c1-4-43-28-18-24(10-12-27(28)46-20-23-8-6-5-7-9-23)33-31(34(40)25-11-13-26-29(19-25)45-15-14-44-26)35(41)36(42)39(33)37-38-32-22(3)16-21(2)17-30(32)47-37/h5-13,16-19,33,40H,4,14-15,20H2,1-3H3/b34-31-