(4E)-5-(3-ethoxy-4-phenylmethoxy-phenyl)-4-[(4-fluorophenyl)-oxidanyl-methylidene]-1-[5-(phenylmethylsulfanyl)-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-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-benzyloxy-3-ethoxy-phenyl)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxy-methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione IUPAC Name: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-benzoxy-3-ethoxy-phenyl)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-[(4-fluorophenyl)-hydroxy-methylene]pyrrolidine-2,3-quinone Formula: C35H28FN3O5S2 MolecularWeight: 653.742323

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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=CC=C5)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=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C35H28FN3O5S2/c1-2-43-28-19-25(15-18-27(28)44-20-22-9-5-3-6-10-22)30-29(31(40)24-13-16-26(36)17-14-24)32(41)33(42)39(30)34-37-38-35(46-34)45-21-23-11-7-4-8-12-23/h3-19,30,40H,2,20-21H2,1H3/b31-29+