2-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(2-thienyl)propanoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-(1-oxo-3-thiophen-2-ylpropyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-[3-(2-thienyl)propanoyl]piperazino]acetic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)CCC2=CC=CS2

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)CCC2=CC=CS2

InChI

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