4-methoxy-1-(2-methyl-5-methylsulfanyl-phenyl)carbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methoxy-1-(2-methyl-5-methylsulfanyl-phenyl)carbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-methoxy-1-(2-methyl-5-methylsulfanyl-benzoyl)pyrrolidine-2-carboxylic acid CAS Name: 4-methoxy-1-[[2-methyl-5-(methylthio)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-methoxy-1-(2-methyl-5-methylsulfanylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-methoxy-1-[2-methyl-5-(methylthio)benzoyl]proline Formula: C15H19NO4S MolecularWeight: 309.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)N2CC(CC2C(=O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)N2CC(CC2C(=O)O)OC

InChI

InChI=1S/C15H19NO4S/c1-9-4-5-11(21-3)7-12(9)14(17)16-8-10(20-2)6-13(16)15(18)19/h4-5,7,10,13H,6,8H2,1-3H3,(H,18,19)