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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-quinone Formula: C36H32N2O6S MolecularWeight: 620.71408

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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(=CC=C5)OC6=CC=CC=C6)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(=CC=C5)OC6=CC=CC=C6)/O

InChI

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