3-[2-(ethanoylsulfanylmethyl)-3-ethoxy-3-oxidanylidene-propyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[2-(ethanoylsulfanylmethyl)-3-ethoxy-3-oxidanylidene-propyl]pyrrolidine-1-carboxylic acid Openeye Name: 3-[2-(acetylsulfanylmethyl)-3-ethoxy-3-oxo-propyl]pyrrolidine-1-carboxylic acid CAS Name: 3-[2-[(acetylthio)methyl]-3-ethoxy-3-oxopropyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[2-(acetylsulfanylmethyl)-3-ethoxy-3-oxopropyl]pyrrolidine-1-carboxylic acid Traditional Name: 3-[2-[(acetylthio)methyl]-3-ethoxy-3-keto-propyl]pyrrolidine-1-carboxylic acid Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1CCN(C1)C(=O)O)CSC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1CCN(C1)C(=O)O)CSC(=O)C

InChI

InChI=1S/C13H21NO5S/c1-3-19-12(16)11(8-20-9(2)15)6-10-4-5-14(7-10)13(17)18/h10-11H,3-8H2,1-2H3,(H,17,18)