(4E)-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-propoxyphenyl)pyrrolidine-2,3-quinone Formula: C31H29N3O4S2 MolecularWeight: 571.70966

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(=C(C3=C(C=CC(=C3)C)C)O)C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=CC=C5

Isomeric SMILES

CCCOC1=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=CC=C5

InChI

InChI=1S/C31H29N3O4S2/c1-4-16-38-23-14-12-22(13-15-23)26-25(27(35)24-17-19(2)10-11-20(24)3)28(36)29(37)34(26)30-32-33-31(40-30)39-18-21-8-6-5-7-9-21/h5-15,17,26,35H,4,16,18H2,1-3H3/b27-25+