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

Systemtic Name: 2-[4-(2-methylsulfanylethanoyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-methylsulfanylacetyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-(methylthio)-1-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-methylsulfanylacetyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(methylthio)acetyl]piperazino]acetic acid Formula: C9H16N2O3S MolecularWeight: 232.29994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCN(CC1)CC(=O)O

Isomeric SMILES

CSCC(=O)N1CCN(CC1)CC(=O)O

InChI

InChI=1S/C9H16N2O3S/c1-15-7-8(12)11-4-2-10(3-5-11)6-9(13)14/h2-7H2,1H3,(H,13,14)