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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-fluoranyl-1,3-benzothiazol-2-yl)-5-(3-methoxy-4-phenylmethoxy-phenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-benzyloxy-3-methoxy-phenyl)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-benzoxy-3-methoxy-phenyl)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C36H31FN2O6S MolecularWeight: 638.704543

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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)F)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)F)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)/O

InChI

InChI=1S/C36H31FN2O6S/c1-3-4-17-44-26-12-8-11-24(18-26)33(40)31-32(23-13-16-28(29(19-23)43-2)45-21-22-9-6-5-7-10-22)39(35(42)34(31)41)36-38-27-15-14-25(37)20-30(27)46-36/h5-16,18-20,32,40H,3-4,17,21H2,1-2H3/b33-31+