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

Systemtic Name: 3-[4-(5-bromanylthiophen-3-yl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-bromo-3-thiophenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(5-bromothiophene-3-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=CSC(=C2)Br

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)C2=CSC(=C2)Br

InChI

InChI=1S/C12H15BrN2O3S/c13-10-7-9(8-19-10)12(18)15-5-3-14(4-6-15)2-1-11(16)17/h7-8H,1-6H2,(H,16,17)