1-(3-ethanoylsulfanylpropanoyl)-4-methoxycarbonyl-piperidine-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanylpropanoyl)-4-methoxycarbonyl-piperidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpropanoyl)-4-methoxycarbonyl-piperidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-4-methoxycarbonyl-2-piperidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-4-methoxycarbonylpiperidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)propanoyl]-4-carbomethoxy-pipecolinic acid Formula: C13H19NO6S MolecularWeight: 317.35806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1CCC(CC1C(=O)O)C(=O)OC

Isomeric SMILES

CC(=O)SCCC(=O)N1CCC(CC1C(=O)O)C(=O)OC

InChI

InChI=1S/C13H19NO6S/c1-8(15)21-6-4-11(16)14-5-3-9(13(19)20-2)7-10(14)12(17)18/h9-10H,3-7H2,1-2H3,(H,17,18)