4-methoxy-1-(2-pyridin-4-ylsulfanylethanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methoxy-1-(2-pyridin-4-ylsulfanylethanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-methoxy-1-[2-(4-pyridylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid CAS Name: 4-methoxy-1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-methoxy-1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-methoxy-1-[2-(4-pyridylthio)acetyl]proline Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)CSC2=CC=NC=C2)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C(=O)CSC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-19-9-6-11(13(17)18)15(7-9)12(16)8-20-10-2-4-14-5-3-10/h2-5,9,11H,6-8H2,1H3,(H,17,18)