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

Systemtic Name: 3-[4-(2-pyridin-4-ylsulfanylethanoyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-(4-pyridylsulfanyl)acetyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[1-oxo-2-(pyridin-4-ylthio)ethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2-pyridin-4-ylsulfanylacetyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(4-pyridylthio)acetyl]piperazino]propionic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)CSC2=CC=NC=C2

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)CSC2=CC=NC=C2

InChI

InChI=1S/C14H19N3O3S/c18-13(11-21-12-1-4-15-5-2-12)17-9-7-16(8-10-17)6-3-14(19)20/h1-2,4-5H,3,6-11H2,(H,19,20)