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

Systemtic Name: (4E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-5-(3-methoxy-4-phenylmethoxy-phenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-benzyloxy-3-methoxy-phenyl)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]pyrrolidine-2,3-dione CAS Name: (4E)-1-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(3-methoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(3-methoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-benzoxy-3-methoxy-phenyl)-1-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]pyrrolidine-2,3-quinone Formula: C36H30ClN3O5S2 MolecularWeight: 684.2235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=C2C(N(C(=O)C2=O)C3=NN=C(S3)SCC4=CC=C(C=C4)Cl)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)SCC4=CC=C(C=C4)Cl)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)/O

InChI

InChI=1S/C36H30ClN3O5S2/c1-21-9-10-22(2)27(17-21)32(41)30-31(25-13-16-28(29(18-25)44-3)45-19-23-7-5-4-6-8-23)40(34(43)33(30)42)35-38-39-36(47-35)46-20-24-11-14-26(37)15-12-24/h4-18,31,41H,19-20H2,1-3H3/b32-30+