ethyl 2-(2,5-dimethylpyrrol-2-yl)-2-methylsulfanyl-ethanoate

Systemtic Name: ethyl 2-(2,5-dimethylpyrrol-2-yl)-2-methylsulfanyl-ethanoate Openeye Name: ethyl 2-(2,5-dimethylpyrrol-2-yl)-2-methylsulfanyl-acetate CAS Name: 2-(2,5-dimethyl-2-pyrrolyl)-2-(methylthio)acetic acid ethyl ester IUPAC Name: ethyl 2-(2,5-dimethylpyrrol-2-yl)-2-methylsulfanylacetate Traditional Name: 2-(2,5-dimethylpyrrol-2-yl)-2-(methylthio)acetic acid ethyl ester Formula: C11H17NO2S MolecularWeight: 227.32318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1(C=CC(=N1)C)C)SC

Isomeric SMILES

CCOC(=O)C(C1(C=CC(=N1)C)C)SC

InChI

InChI=1S/C11H17NO2S/c1-5-14-10(13)9(15-4)11(3)7-6-8(2)12-11/h6-7,9H,5H2,1-4H3