4-methoxy-1-(2-methylsulfanylpyridin-3-yl)carbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methoxy-1-(2-methylsulfanylpyridin-3-yl)carbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-methoxy-1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 4-methoxy-1-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-methoxy-1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-methoxy-1-[2-(methylthio)nicotinoyl]proline Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)C2=C(N=CC=C2)SC)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C(=O)C2=C(N=CC=C2)SC)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-19-8-6-10(13(17)18)15(7-8)12(16)9-4-3-5-14-11(9)20-2/h3-5,8,10H,6-7H2,1-2H3,(H,17,18)