(4E)-5-(3-ethoxy-4-phenylmethoxy-phenyl)-4-[(4-fluorophenyl)-oxidanyl-methylidene]-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(3-ethoxy-4-phenylmethoxy-phenyl)-4-[(4-fluorophenyl)-oxidanyl-methylidene]-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-benzyloxy-3-ethoxy-phenyl)-4-[(4-fluorophenyl)-hydroxy-methylene]-1-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-benzoxy-3-ethoxy-phenyl)-4-[(4-fluorophenyl)-hydroxy-methylene]-1-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-quinone Formula: C36H30FN3O5S2 MolecularWeight: 667.768903

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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=NN=C(S4)SCC5=CC=C(C=C5)C)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=NN=C(S4)SCC5=CC=C(C=C5)C)OCC6=CC=CC=C6

InChI

InChI=1S/C36H30FN3O5S2/c1-3-44-29-19-26(15-18-28(29)45-20-23-7-5-4-6-8-23)31-30(32(41)25-13-16-27(37)17-14-25)33(42)34(43)40(31)35-38-39-36(47-35)46-21-24-11-9-22(2)10-12-24/h4-19,31,41H,3,20-21H2,1-2H3/b32-30+