1-[4-(5-bromanylthiophen-2-yl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(5-bromo-2-thienyl)butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(5-bromo-2-thiophenyl)-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(5-bromothiophen-2-yl)butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(5-bromo-2-thienyl)butanoyl]proline Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCC2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CCCC2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C13H16BrNO3S/c14-11-7-6-9(19-11)3-1-5-12(16)15-8-2-4-10(15)13(17)18/h6-7,10H,1-5,8H2,(H,17,18)