2-(2,5-dimethylpyrrol-2-yl)-2-methylsulfanyl-ethanoic acid

Systemtic Name: 2-(2,5-dimethylpyrrol-2-yl)-2-methylsulfanyl-ethanoic acid Openeye Name: 2-(2,5-dimethylpyrrol-2-yl)-2-methylsulfanyl-acetic acid CAS Name: 2-(2,5-dimethyl-2-pyrrolyl)-2-(methylthio)acetic acid IUPAC Name: 2-(2,5-dimethylpyrrol-2-yl)-2-methylsulfanylacetic acid Traditional Name: 2-(2,5-dimethylpyrrol-2-yl)-2-(methylthio)acetic acid Formula: C9H13NO2S MolecularWeight: 199.27002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C=C1)(C)C(C(=O)O)SC

Isomeric SMILES

CC1=NC(C=C1)(C)C(C(=O)O)SC

InChI

InChI=1S/C9H13NO2S/c1-6-4-5-9(2,10-6)7(13-3)8(11)12/h4-5,7H,1-3H3,(H,11,12)