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

Systemtic Name: (4E)-5-(4-butoxy-3-methoxy-phenyl)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-fluoranyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-butoxy-3-methoxy-phenyl)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-butoxy-3-methoxyphenyl)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-butoxy-3-methoxyphenyl)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-butoxy-3-methoxy-phenyl)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C33H33FN2O6S MolecularWeight: 604.688323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC1=C(C=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)OC

InChI

InChI=1S/C33H33FN2O6S/c1-4-6-15-41-23-10-8-9-21(17-23)30(37)28-29(20-11-14-25(26(18-20)40-3)42-16-7-5-2)36(32(39)31(28)38)33-35-24-13-12-22(34)19-27(24)43-33/h8-14,17-19,29,37H,4-7,15-16H2,1-3H3/b30-28+