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

Systemtic Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-4-[oxidanyl(pyridin-4-yl)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-butoxy-3-ethoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy(pyridin-4-yl)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-butoxy-3-ethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-(4-butoxy-3-ethoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-quinone Formula: C31H30N4O5S2 MolecularWeight: 602.7237

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=CC=C5)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=CC=C5)OCC

InChI

InChI=1S/C31H30N4O5S2/c1-3-5-17-40-23-12-11-22(18-24(23)39-4-2)26-25(27(36)21-13-15-32-16-14-21)28(37)29(38)35(26)30-33-34-31(42-30)41-19-20-9-7-6-8-10-20/h6-16,18,26,36H,3-5,17,19H2,1-2H3/b27-25+