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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-bromothiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-thienyl)methyl]proline Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=C(S4)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=C(S4)Br)C(=O)O

InChI

InChI=1S/C17H16BrNO4S/c18-15-6-5-14(24-15)16(19-7-1-2-11(19)17(20)21)10-3-4-12-13(8-10)23-9-22-12/h3-6,8,11,16H,1-2,7,9H2,(H,20,21)