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

Systemtic Name: (4E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-pentoxy-phenyl)-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-pentoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-1-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-pentoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-pentoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-amoxy-3-ethoxy-phenyl)-1-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-quinone Formula: C32H31ClN4O5S2 MolecularWeight: 651.19534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H31ClN4O5S2/c1-3-5-6-17-42-24-12-9-22(18-25(24)41-4-2)27-26(28(38)21-13-15-34-16-14-21)29(39)30(40)37(27)31-35-36-32(44-31)43-19-20-7-10-23(33)11-8-20/h7-16,18,27,38H,3-6,17,19H2,1-2H3/b28-26+