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

Systemtic Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-butoxy-3-ethoxyphenyl)-1-[5-[(2-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-butoxy-3-ethoxyphenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-1-[5-[(2-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-quinone Formula: C31H29ClN4O5S2 MolecularWeight: 637.16876

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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=C5Cl)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=C5Cl)OCC

InChI

InChI=1S/C31H29ClN4O5S2/c1-3-5-16-41-23-11-10-20(17-24(23)40-4-2)26-25(27(37)19-12-14-33-15-13-19)28(38)29(39)36(26)30-34-35-31(43-30)42-18-21-8-6-7-9-22(21)32/h6-15,17,26,37H,3-5,16,18H2,1-2H3/b27-25+