1-[furan-2-yl-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[furan-2-yl-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-furyl-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-furanyl-[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[furan-2-yl-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-furyl-[4-(methylthio)phenyl]methyl]proline Formula: C17H19NO3S MolecularWeight: 317.40266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=CO2)N3CCCC3C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CO2)N3CCCC3C(=O)O

InChI

InChI=1S/C17H19NO3S/c1-22-13-8-6-12(7-9-13)16(15-5-3-11-21-15)18-10-2-4-14(18)17(19)20/h3,5-9,11,14,16H,2,4,10H2,1H3,(H,19,20)