1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(2-thienyl)methyl]proline Formula: C17H17NO4S MolecularWeight: 331.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C17H17NO4S/c19-17(20)12-3-1-7-18(12)16(15-4-2-8-23-15)11-5-6-13-14(9-11)22-10-21-13/h2,4-6,8-9,12,16H,1,3,7,10H2,(H,19,20)