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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-fluoranyl-1,3-benzothiazol-2-yl)-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-amoxyphenyl)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C33H33FN2O5S MolecularWeight: 588.688923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=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

CCCCCOC1=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/C33H33FN2O5S/c1-3-5-7-18-40-24-14-11-21(12-15-24)29-28(30(37)22-9-8-10-25(19-22)41-17-6-4-2)31(38)32(39)36(29)33-35-26-16-13-23(34)20-27(26)42-33/h8-16,19-20,29,37H,3-7,17-18H2,1-2H3/b30-28+