4-methoxy-1-[5-(methylsulfanylmethyl)furan-2-yl]carbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methoxy-1-[5-(methylsulfanylmethyl)furan-2-yl]carbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-methoxy-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 4-methoxy-1-[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-methoxy-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-methoxy-1-[5-[(methylthio)methyl]-2-furoyl]proline Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)C2=CC=C(O2)CSC)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C(=O)C2=CC=C(O2)CSC)C(=O)O

InChI

InChI=1S/C13H17NO5S/c1-18-9-5-10(13(16)17)14(6-9)12(15)11-4-3-8(19-11)7-20-2/h3-4,9-10H,5-7H2,1-2H3,(H,16,17)