(4E)-5-(3-ethoxy-4-pentoxy-phenyl)-4-[oxidanyl-(4-propoxyphenyl)methylidene]-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(3-ethoxy-4-pentoxy-phenyl)-4-[oxidanyl-(4-propoxyphenyl)methylidene]-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione Openeye Name: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3-ethoxy-4-pentoxy-phenyl)-4-[hydroxy-(4-propoxyphenyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-ethoxy-4-pentoxyphenyl)-4-[hydroxy-(4-propoxyphenyl)methylidene]-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-pentoxyphenyl)-4-[hydroxy-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-amoxy-3-ethoxy-phenyl)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-[hydroxy-(4-propoxyphenyl)methylene]pyrrolidine-2,3-quinone Formula: C36H39N3O6S2 MolecularWeight: 673.84136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCCC)O)C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=CC=C5)OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OCCC)\O)/C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=CC=C5)OCC

InChI

InChI=1S/C36H39N3O6S2/c1-4-7-11-21-45-28-19-16-26(22-29(28)43-6-3)31-30(32(40)25-14-17-27(18-15-25)44-20-5-2)33(41)34(42)39(31)35-37-38-36(47-35)46-23-24-12-9-8-10-13-24/h8-10,12-19,22,31,40H,4-7,11,20-21,23H2,1-3H3/b32-30+