(3S)-1-(2-tert-butylsulfanylethanoyl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(2-tert-butylsulfanylethanoyl)piperidine-3-carboxylate Openeye Name: (3S)-1-(2-tert-butylsulfanylacetyl)piperidine-3-carboxylate CAS Name: (3S)-1-[2-(tert-butylthio)-1-oxoethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2-tert-butylsulfanylacetyl)piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(tert-butylthio)acetyl]nipecotate Formula: C12H20NO3S- MolecularWeight: 258.3571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)N1CCCC(C1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)SCC(=O)N1CCC[C@@H](C1)C(=O)[O-]

InChI

InChI=1S/C12H21NO3S/c1-12(2,3)17-8-10(14)13-6-4-5-9(7-13)11(15)16/h9H,4-8H2,1-3H3,(H,15,16)/p-1/t9-/m0/s1