1-(2-methylsulfanylpyridin-3-yl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-methylsulfanylpyridin-3-yl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(methylthio)nicotinoyl]proline Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C12H14N2O3S/c1-18-10-8(4-2-6-13-10)11(15)14-7-3-5-9(14)12(16)17/h2,4,6,9H,3,5,7H2,1H3,(H,16,17)