(4E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-5-(4-pentoxyphenyl)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-(4-pentoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-amoxyphenyl)-1-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]pyrrolidine-2,3-quinone Formula: C33H32ClN3O4S2 MolecularWeight: 634.20788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H32ClN3O4S2/c1-4-5-6-17-41-25-15-11-23(12-16-25)28-27(29(38)26-18-20(2)7-8-21(26)3)30(39)31(40)37(28)32-35-36-33(43-32)42-19-22-9-13-24(34)14-10-22/h7-16,18,28,38H,4-6,17,19H2,1-3H3/b29-27+