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

Systemtic Name: 2-[4-(2-phenylsulfanylethanoyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[1-oxo-2-(phenylthio)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(phenylthio)acetyl]piperazino]acetic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c17-13(11-20-12-4-2-1-3-5-12)16-8-6-15(7-9-16)10-14(18)19/h1-5H,6-11H2,(H,18,19)