1-[2-(cyanomethyl)-3-ethanoylsulfanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(cyanomethyl)-3-ethanoylsulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(acetylsulfanylmethyl)-3-cyano-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(acetylthio)methyl]-3-cyano-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(acetylsulfanylmethyl)-3-cyanopropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(acetylthio)methyl]-3-cyano-propanoyl]proline Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC#N)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CC(=O)SCC(CC#N)C(=O)N1CCCC1C(=O)O

InChI

InChI=1S/C12H16N2O4S/c1-8(15)19-7-9(4-5-13)11(16)14-6-2-3-10(14)12(17)18/h9-10H,2-4,6-7H2,1H3,(H,17,18)