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

Systemtic Name: (4E)-5-(4-butoxyphenyl)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-fluoranyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-butoxyphenyl)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-butoxyphenyl)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-butoxyphenyl)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-butoxyphenyl)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C32H31FN2O5S MolecularWeight: 574.662343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OCCCC)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OCCCC)\O)/C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C32H31FN2O5S/c1-3-5-16-39-23-13-10-20(11-14-23)28-27(29(36)21-8-7-9-24(18-21)40-17-6-4-2)30(37)31(38)35(28)32-34-25-15-12-22(33)19-26(25)41-32/h7-15,18-19,28,36H,3-6,16-17H2,1-2H3/b29-27+