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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(=O)N2CCSC3=NC(=CS3)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(=O)N2CCSC3=NC(=CS3)C(=O)O

InChI

InChI=1S/C20H24N2O3S2/c1-2-3-4-14-5-7-15(8-6-14)17-9-10-18(23)22(17)11-12-26-20-21-16(13-27-20)19(24)25/h5-8,13,17H,2-4,9-12H2,1H3,(H,24,25)