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

Systemtic Name: 3-[4-[2-(thiophen-2-ylmethylsulfanyl)ethanoyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-(2-thienylmethylsulfanyl)acetyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(2-thenylthio)acetyl]piperazino]propionic acid Formula: C14H20N2O3S2 MolecularWeight: 328.4502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)CSCC2=CC=CS2

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)CSCC2=CC=CS2

InChI

InChI=1S/C14H20N2O3S2/c17-13(11-20-10-12-2-1-9-21-12)16-7-5-15(6-8-16)4-3-14(18)19/h1-2,9H,3-8,10-11H2,(H,18,19)