3-[4-(5-bromanylthiophen-2-yl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(5-bromanylthiophen-2-yl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-bromo-2-thiophenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(5-bromothiophene-2-carbonyl)piperazino]propionic acid Formula: C12H15BrN2O3S MolecularWeight: 347.2281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)C2=CC=C(S2)Br

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C12H15BrN2O3S/c13-10-2-1-9(19-10)12(18)15-7-5-14(6-8-15)4-3-11(16)17/h1-2H,3-8H2,(H,16,17)