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

Systemtic Name: (4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-isopentyloxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-1-[5-[(2-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-[(2-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-isoamoxy-phenyl)-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:

CCOC1=C(C=CC(=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=CC=C5Cl)OCCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=CC=C5Cl)OCCC(C)C

InChI

InChI=1S/C32H31ClN4O5S2/c1-4-41-25-17-21(9-10-24(25)42-16-13-19(2)3)27-26(28(38)20-11-14-34-15-12-20)29(39)30(40)37(27)31-35-36-32(44-31)43-18-22-7-5-6-8-23(22)33/h5-12,14-15,17,19,27,38H,4,13,16,18H2,1-3H3/b28-26+