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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S/c19-17(20)13-2-1-6-18(13)16(12-5-7-23-9-12)11-3-4-14-15(8-11)22-10-21-14/h3-5,7-9,13,16H,1-2,6,10H2,(H,19,20)