2-[2-[2-(4-tert-butylphenyl)-5-oxidanylidene-pyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[2-[2-(4-tert-butylphenyl)-5-oxidanylidene-pyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[2-[2-(4-tert-butylphenyl)-5-oxo-pyrrolidin-1-yl]ethylsulfanyl]thiazole-4-carboxylic acid CAS Name: 2-[2-[2-(4-tert-butylphenyl)-5-oxo-1-pyrrolidinyl]ethylthio]-4-thiazolecarboxylic acid IUPAC Name: 2-[2-[2-(4-tert-butylphenyl)-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[2-[2-(4-tert-butylphenyl)-5-keto-pyrrolidino]ethylthio]thiazole-4-carboxylic acid Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CCC(=O)N2CCSC3=NC(=CS3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2CCC(=O)N2CCSC3=NC(=CS3)C(=O)O

InChI

InChI=1S/C20H24N2O3S2/c1-20(2,3)14-6-4-13(5-7-14)16-8-9-17(23)22(16)10-11-26-19-21-15(12-27-19)18(24)25/h4-7,12,16H,8-11H2,1-3H3,(H,24,25)