1-[3-(methylsulfanylmethyl)phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-(methylsulfanylmethyl)phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(methylsulfanylmethyl)benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(methylsulfanylmethyl)benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[(methylthio)methyl]benzoyl]proline Formula: C14H17NO3S MolecularWeight: 279.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C14H17NO3S/c1-19-9-10-4-2-5-11(8-10)13(16)15-7-3-6-12(15)14(17)18/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,17,18)