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

Systemtic Name: (4E)-5-(3-ethoxy-4-phenylmethoxy-phenyl)-4-[(4-fluorophenyl)-oxidanyl-methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-benzyloxy-3-ethoxy-phenyl)-4-[(4-fluorophenyl)-hydroxy-methylene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-benzoxy-3-ethoxy-phenyl)-4-[(4-fluorophenyl)-hydroxy-methylene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C34H27FN2O6S MolecularWeight: 610.651383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)OC)OCC6=CC=CC=C6

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)OC)OCC6=CC=CC=C6

InChI

InChI=1S/C34H27FN2O6S/c1-3-42-27-17-22(11-16-26(27)43-19-20-7-5-4-6-8-20)30-29(31(38)21-9-12-23(35)13-10-21)32(39)33(40)37(30)34-36-25-15-14-24(41-2)18-28(25)44-34/h4-18,30,38H,3,19H2,1-2H3/b31-29+