4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-(p-anisylthio)proline Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(NC2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(NC2)C(=O)O

InChI

InChI=1S/C13H17NO3S/c1-17-10-4-2-9(3-5-10)8-18-11-6-12(13(15)16)14-7-11/h2-5,11-12,14H,6-8H2,1H3,(H,15,16)