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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)N1CCN(CC1)CC(=O)O

Isomeric SMILES

CCCCSCC(=O)N1CCN(CC1)CC(=O)O

InChI

InChI=1S/C12H22N2O3S/c1-2-3-8-18-10-11(15)14-6-4-13(5-7-14)9-12(16)17/h2-10H2,1H3,(H,16,17)