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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C28H26N2O5S2 MolecularWeight: 534.64644

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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=CS5)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=CS5)/O

InChI

InChI=1S/C28H26N2O5S2/c1-3-5-13-35-18-9-6-8-17(15-18)25(31)23-24(21-10-7-14-36-21)30(27(33)26(23)32)28-29-20-12-11-19(34-4-2)16-22(20)37-28/h6-12,14-16,24,31H,3-5,13H2,1-2H3/b25-23+