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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(benzothiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(benzothiophen-2-yl)methyl]proline Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C21H19NO4S/c23-21(24)15-5-3-9-22(15)20(14-7-8-16-17(10-14)26-12-25-16)19-11-13-4-1-2-6-18(13)27-19/h1-2,4,6-8,10-11,15,20H,3,5,9,12H2,(H,23,24)