1-[2-(cyanomethylsulfanyl)ethanoyl]-4-methoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(cyanomethylsulfanyl)ethanoyl]-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(cyanomethylsulfanyl)acetyl]-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(cyanomethylthio)-1-oxoethyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(cyanomethylsulfanyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(cyanomethylthio)acetyl]-4-methoxy-proline Formula: C10H14N2O4S MolecularWeight: 258.29416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)CSCC#N)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C(=O)CSCC#N)C(=O)O

InChI

InChI=1S/C10H14N2O4S/c1-16-7-4-8(10(14)15)12(5-7)9(13)6-17-3-2-11/h7-8H,3-6H2,1H3,(H,14,15)