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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)CC2=CSC=C2

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)CC2=CSC=C2

InChI

InChI=1S/C13H18N2O3S/c16-12(9-11-2-8-19-10-11)15-6-4-14(5-7-15)3-1-13(17)18/h2,8,10H,1,3-7,9H2,(H,17,18)