(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-oxidanyl-methylidene]-5-(3-methoxy-4-phenylmethoxy-phenyl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-oxidanyl-methylidene]-5-(3-methoxy-4-phenylmethoxy-phenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-benzyloxy-3-methoxy-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxy-methylene]pyrrolidine-2,3-dione CAS Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(3-methoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(3-methoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-benzoxy-3-methoxy-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(m-phenetyl)methylene]pyrrolidine-2,3-quinone Formula: C36H32N2O6S MolecularWeight: 620.71408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)O

Isomeric SMILES

CCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)/O

InChI

InChI=1S/C36H32N2O6S/c1-5-43-26-13-9-12-25(18-26)33(39)30-32(24-14-15-27(28(19-24)42-4)44-20-23-10-7-6-8-11-23)38(35(41)34(30)40)36-37-31-22(3)16-21(2)17-29(31)45-36/h6-19,32,39H,5,20H2,1-4H3/b33-30+