2-(3-ethanoylsulfanylpropanoyl)-5-oxidanylidene-pyrazolidine-3-carboxylic acid

Systemtic Name: 2-(3-ethanoylsulfanylpropanoyl)-5-oxidanylidene-pyrazolidine-3-carboxylic acid Openeye Name: 2-(3-acetylsulfanylpropanoyl)-5-oxo-pyrazolidine-3-carboxylic acid CAS Name: 2-[3-(acetylthio)-1-oxopropyl]-5-oxo-3-pyrazolidinecarboxylic acid IUPAC Name: 2-(3-acetylsulfanylpropanoyl)-5-oxopyrazolidine-3-carboxylic acid Traditional Name: 2-[3-(acetylthio)propanoyl]-5-keto-pyrazolidine-3-carboxylic acid Formula: C9H12N2O5S MolecularWeight: 260.26698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(CC(=O)N1)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N1C(CC(=O)N1)C(=O)O

InChI

InChI=1S/C9H12N2O5S/c1-5(12)17-3-2-8(14)11-6(9(15)16)4-7(13)10-11/h6H,2-4H2,1H3,(H,10,13)(H,15,16)