(4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-5-(3,4-dimethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-5-(3,4-dimethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(3,4-dimethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(3,4-dimethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C32H32N2O7S MolecularWeight: 588.67068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)OCC)C5=CC(=C(C=C5)OC)OC)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)OCC)C5=CC(=C(C=C5)OC)OC)/O

InChI

InChI=1S/C32H32N2O7S/c1-5-7-15-41-21-10-8-9-20(16-21)29(35)27-28(19-11-14-24(38-3)25(17-19)39-4)34(31(37)30(27)36)32-33-23-13-12-22(40-6-2)18-26(23)42-32/h8-14,16-18,28,35H,5-7,15H2,1-4H3/b29-27+