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

Systemtic Name: 2-[4-(2-tert-butylsulfanylethanoyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-tert-butylsulfanylacetyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-(tert-butylthio)-1-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-tert-butylsulfanylacetyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(tert-butylthio)acetyl]piperazino]acetic acid Formula: C12H22N2O3S MolecularWeight: 274.37968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N2O3S/c1-12(2,3)18-9-10(15)14-6-4-13(5-7-14)8-11(16)17/h4-9H2,1-3H3,(H,16,17)