1-(2-propan-2-ylsulfanylethanoyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(2-propan-2-ylsulfanylethanoyl)piperidine-3-carboxylic acid Openeye Name: 1-(2-isopropylsulfanylacetyl)piperidine-3-carboxylic acid CAS Name: 1-[1-oxo-2-(propan-2-ylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-propan-2-ylsulfanylacetyl)piperidine-3-carboxylic acid Traditional Name: 1-[2-(isopropylthio)acetyl]nipecotic acid Formula: C11H19NO3S MolecularWeight: 245.33846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)N1CCCC(C1)C(=O)O

Isomeric SMILES

CC(C)SCC(=O)N1CCCC(C1)C(=O)O

InChI

InChI=1S/C11H19NO3S/c1-8(2)16-7-10(13)12-5-3-4-9(6-12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)