1-(2-ethanoylsulfanylethylsulfonyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-ethanoylsulfanylethylsulfonyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-acetylsulfanylethylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(acetylthio)ethylsulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-acetylsulfanylethylsulfonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(acetylthio)ethylsulfonyl]proline Formula: C9H15NO5S2 MolecularWeight: 281.3491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCS(=O)(=O)N1CCCC1C(=O)O

Isomeric SMILES

CC(=O)SCCS(=O)(=O)N1CCCC1C(=O)O

InChI

InChI=1S/C9H15NO5S2/c1-7(11)16-5-6-17(14,15)10-4-2-3-8(10)9(12)13/h8H,2-6H2,1H3,(H,12,13)