3-[4-(4-tert-butylphenyl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[4-(4-tert-butylphenyl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[2-acetylsulfanyl-4-(4-tert-butylphenyl)-4-oxo-butanoyl]thiazolidine-4-carboxylic acid CAS Name: 3-[2-(acetylthio)-4-(4-tert-butylphenyl)-1,4-dioxobutyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[2-acetylsulfanyl-4-(4-tert-butylphenyl)-4-oxobutanoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[2-(acetylthio)-4-(4-tert-butylphenyl)-4-keto-butanoyl]thiazolidine-4-carboxylic acid Formula: C20H25NO5S2 MolecularWeight: 423.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)C1=CC=C(C=C1)C(C)(C)C)C(=O)N2CSCC2C(=O)O

Isomeric SMILES

CC(=O)SC(CC(=O)C1=CC=C(C=C1)C(C)(C)C)C(=O)N2CSCC2C(=O)O

InChI

InChI=1S/C20H25NO5S2/c1-12(22)28-17(18(24)21-11-27-10-15(21)19(25)26)9-16(23)13-5-7-14(8-6-13)20(2,3)4/h5-8,15,17H,9-11H2,1-4H3,(H,25,26)