ethyl 2-(2,5-dimethylpyrrol-1-yl)-3-sulfanyl-propanoate

Systemtic Name: ethyl 2-(2,5-dimethylpyrrol-1-yl)-3-sulfanyl-propanoate Openeye Name: ethyl 2-(2,5-dimethylpyrrol-1-yl)-3-sulfanyl-propanoate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl 2-(2,5-dimethylpyrrol-1-yl)-3-sulfanylpropanoate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-3-mercapto-propionic acid ethyl ester Formula: C11H17NO2S MolecularWeight: 227.32318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)N1C(=CC=C1C)C

Isomeric SMILES

CCOC(=O)C(CS)N1C(=CC=C1C)C

InChI

InChI=1S/C11H17NO2S/c1-4-14-11(13)10(7-15)12-8(2)5-6-9(12)3/h5-6,10,15H,4,7H2,1-3H3