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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-5-(4-tert-butylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(4-tert-butylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(4-tert-butylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(4-tert-butylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(4-tert-butylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C34H36N2O5S MolecularWeight: 584.72504

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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=C(C=C5)C(C)(C)C)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)C(C)(C)C)/O

InChI

InChI=1S/C34H36N2O5S/c1-6-8-18-41-24-11-9-10-22(19-24)30(37)28-29(21-12-14-23(15-13-21)34(3,4)5)36(32(39)31(28)38)33-35-26-17-16-25(40-7-2)20-27(26)42-33/h9-17,19-20,29,37H,6-8,18H2,1-5H3/b30-28+