1-(2-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methylsulfanylphenyl)-5-oxo-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(methylthio)phenyl]-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methylsulfanylphenyl)-5-oxopyrrolidine-2-carboxylic acid Traditional Name: 5-keto-1-[2-(methylthio)phenyl]proline Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2C(CCC2=O)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1N2C(CCC2=O)C(=O)O

InChI

InChI=1S/C12H13NO3S/c1-17-10-5-3-2-4-8(10)13-9(12(15)16)6-7-11(13)14/h2-5,9H,6-7H2,1H3,(H,15,16)