3-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-(2-thienyl)acetyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(2-thienyl)acetyl]piperazino]propionic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)CC2=CC=CS2

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)CC2=CC=CS2

InChI

InChI=1S/C13H18N2O3S/c16-12(10-11-2-1-9-19-11)15-7-5-14(6-8-15)4-3-13(17)18/h1-2,9H,3-8,10H2,(H,17,18)