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

Systemtic Name: 5-oxidanylidene-2-(3-sulfanylpropanoyl)pyrazolidine-3-carboxylic acid Openeye Name: 5-oxo-2-(3-sulfanylpropanoyl)pyrazolidine-3-carboxylic acid CAS Name: 2-(3-mercapto-1-oxopropyl)-5-oxo-3-pyrazolidinecarboxylic acid IUPAC Name: 5-oxo-2-(3-sulfanylpropanoyl)pyrazolidine-3-carboxylic acid Traditional Name: 5-keto-2-(3-mercaptopropanoyl)pyrazolidine-3-carboxylic acid Formula: C7H10N2O4S MolecularWeight: 218.2303

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(NC1=O)C(=O)CCS)C(=O)O

Isomeric SMILES

C1C(N(NC1=O)C(=O)CCS)C(=O)O

InChI

InChI=1S/C7H10N2O4S/c10-5-3-4(7(12)13)9(8-5)6(11)1-2-14/h4,14H,1-3H2,(H,8,10)(H,12,13)