4-[2-(ethanoylsulfanylmethyl)-3-ethoxy-3-oxidanylidene-propyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(ethanoylsulfanylmethyl)-3-ethoxy-3-oxidanylidene-propyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(acetylsulfanylmethyl)-3-ethoxy-3-oxo-propyl]piperazine-1-carboxylic acid CAS Name: 4-[2-[(acetylthio)methyl]-3-ethoxy-3-oxopropyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(acetylsulfanylmethyl)-3-ethoxy-3-oxopropyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-[(acetylthio)methyl]-3-ethoxy-3-keto-propyl]piperazine-1-carboxylic acid Formula: C13H22N2O5S MolecularWeight: 318.38918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN1CCN(CC1)C(=O)O)CSC(=O)C

Isomeric SMILES

CCOC(=O)C(CN1CCN(CC1)C(=O)O)CSC(=O)C

InChI

InChI=1S/C13H22N2O5S/c1-3-20-12(17)11(9-21-10(2)16)8-14-4-6-15(7-5-14)13(18)19/h11H,3-9H2,1-2H3,(H,18,19)