3-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(4-acetylpiperazino)-2-keto-ethyl]thio]propionic acid Formula: C11H18N2O4S MolecularWeight: 274.33662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSCCC(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSCCC(=O)O

InChI

InChI=1S/C11H18N2O4S/c1-9(14)12-3-5-13(6-4-12)10(15)8-18-7-2-11(16)17/h2-8H2,1H3,(H,16,17)