2-[3-(ethanoylsulfanylmethyl)-2-oxidanylidene-piperidin-1-yl]pentanoic acid

Systemtic Name: 2-[3-(ethanoylsulfanylmethyl)-2-oxidanylidene-piperidin-1-yl]pentanoic acid Openeye Name: 2-[3-(acetylsulfanylmethyl)-2-oxo-1-piperidyl]pentanoic acid CAS Name: 2-[3-[(acetylthio)methyl]-2-oxo-1-piperidinyl]pentanoic acid IUPAC Name: 2-[3-(acetylsulfanylmethyl)-2-oxopiperidin-1-yl]pentanoic acid Traditional Name: 2-[3-[(acetylthio)methyl]-2-keto-piperidino]valeric acid Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)N1CCCC(C1=O)CSC(=O)C

Isomeric SMILES

CCCC(C(=O)O)N1CCCC(C1=O)CSC(=O)C

InChI

InChI=1S/C13H21NO4S/c1-3-5-11(13(17)18)14-7-4-6-10(12(14)16)8-19-9(2)15/h10-11H,3-8H2,1-2H3,(H,17,18)