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

Systemtic Name: (4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-phenylmethoxy-phenyl)-4-[(4-fluorophenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-benzyloxy-3-ethoxy-phenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(4-fluorophenyl)-hydroxy-methylene]pyrrolidine-2,3-dione CAS Name: (4E)-1-[5-[(2-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-benzoxy-3-ethoxy-phenyl)-1-[5-[(2-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-[(4-fluorophenyl)-hydroxy-methylene]pyrrolidine-2,3-quinone Formula: C35H27ClFN3O5S2 MolecularWeight: 688.187383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=CC=C5Cl)OCC6=CC=CC=C6

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=CC=C5Cl)OCC6=CC=CC=C6

InChI

InChI=1S/C35H27ClFN3O5S2/c1-2-44-28-18-23(14-17-27(28)45-19-21-8-4-3-5-9-21)30-29(31(41)22-12-15-25(37)16-13-22)32(42)33(43)40(30)34-38-39-35(47-34)46-20-24-10-6-7-11-26(24)36/h3-18,30,41H,2,19-20H2,1H3/b31-29+