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

Systemtic Name: 2-[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-benzylsulfanylacetyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[1-oxo-2-(phenylmethylthio)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-benzylsulfanylacetyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(benzylthio)acetyl]piperazino]acetic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)CSCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3S/c18-14(12-21-11-13-4-2-1-3-5-13)17-8-6-16(7-9-17)10-15(19)20/h1-5H,6-12H2,(H,19,20)