4-methoxy-1-[3-(methylsulfanylmethyl)phenyl]carbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methoxy-1-[3-(methylsulfanylmethyl)phenyl]carbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-methoxy-1-[3-(methylsulfanylmethyl)benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-methoxy-1-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-methoxy-1-[3-(methylsulfanylmethyl)benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-methoxy-1-[3-[(methylthio)methyl]benzoyl]proline Formula: C15H19NO4S MolecularWeight: 309.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4S/c1-20-12-7-13(15(18)19)16(8-12)14(17)11-5-3-4-10(6-11)9-21-2/h3-6,12-13H,7-9H2,1-2H3,(H,18,19)