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

Systemtic Name: 3-[4-(2-thiophen-2-ylsulfanylethanoyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-(2-thienylsulfanyl)acetyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[1-oxo-2-(thiophen-2-ylthio)ethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2-thiophen-2-ylsulfanylacetyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(2-thienylthio)acetyl]piperazino]propionic acid Formula: C13H18N2O3S2 MolecularWeight: 314.42362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)CSC2=CC=CS2

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)CSC2=CC=CS2

InChI

InChI=1S/C13H18N2O3S2/c16-11(10-20-13-2-1-9-19-13)15-7-5-14(6-8-15)4-3-12(17)18/h1-2,9H,3-8,10H2,(H,17,18)