(4E)-5-(4-ethoxyphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]-oxidanyl-methylidene]-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(4-ethoxyphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]-oxidanyl-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-(4-ethoxyphenyl)-4-[hydroxy-[4-(m-tolylmethoxy)phenyl]methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-ethoxyphenyl)-4-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]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-(4-ethoxyphenyl)-4-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-[hydroxy-[4-(3-methylbenzyl)oxyphenyl]methylene]-5-p-phenetyl-pyrrolidine-2,3-quinone Formula: C36H31N3O5S2 MolecularWeight: 649.77844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC4=CC=CC(=C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OCC4=CC=CC(=C4)C)\O)/C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6

InChI

InChI=1S/C36H31N3O5S2/c1-3-43-28-16-12-26(13-17-28)31-30(32(40)27-14-18-29(19-15-27)44-21-25-11-7-8-23(2)20-25)33(41)34(42)39(31)35-37-38-36(46-35)45-22-24-9-5-4-6-10-24/h4-20,31,40H,3,21-22H2,1-2H3/b32-30+