2-[4-(2-pyridin-4-ylsulfanylethanoyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(2-pyridin-4-ylsulfanylethanoyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(4-pyridylsulfanyl)acetyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[1-oxo-2-(pyridin-4-ylthio)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-pyridin-4-ylsulfanylacetyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(4-pyridylthio)acetyl]piperazino]acetic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)CSC2=CC=NC=C2

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)CSC2=CC=NC=C2

InChI

InChI=1S/C13H17N3O3S/c17-12(10-20-11-1-3-14-4-2-11)16-7-5-15(6-8-16)9-13(18)19/h1-4H,5-10H2,(H,18,19)