2-[4-[2-(thiophen-2-ylmethylsulfanyl)ethanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(thiophen-2-ylmethylsulfanyl)ethanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(2-thienylmethylsulfanyl)acetyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(2-thenylthio)acetyl]piperazino]acetic acid Formula: C13H18N2O3S2 MolecularWeight: 314.42362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)CSCC2=CC=CS2

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)CSCC2=CC=CS2

InChI

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