1-(2-tert-butylsulfanylethanoyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(2-tert-butylsulfanylethanoyl)piperidine-3-carboxylic acid Openeye Name: 1-(2-tert-butylsulfanylacetyl)piperidine-3-carboxylic acid CAS Name: 1-[2-(tert-butylthio)-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-tert-butylsulfanylacetyl)piperidine-3-carboxylic acid Traditional Name: 1-[2-(tert-butylthio)acetyl]nipecotic acid Formula: C12H21NO3S MolecularWeight: 259.36504

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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)N1CCCC(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)