6,9-bis(oxidanylidene)-3-(4-sulfanylbutanoyl)-3-azaspiro[4.4]nonane-2-carboxylic acid

Systemtic Name: 6,9-bis(oxidanylidene)-3-(4-sulfanylbutanoyl)-3-azaspiro[4.4]nonane-2-carboxylic acid Openeye Name: 6,9-dioxo-3-(4-sulfanylbutanoyl)-3-azaspiro[4.4]nonane-2-carboxylic acid CAS Name: 3-(4-mercapto-1-oxobutyl)-6,9-dioxo-3-azaspiro[4.4]nonane-2-carboxylic acid IUPAC Name: 6,9-dioxo-3-(4-sulfanylbutanoyl)-3-azaspiro[4.4]nonane-2-carboxylic acid Traditional Name: 6,9-diketo-3-(4-mercaptobutanoyl)-3-azaspiro[4.4]nonane-2-carboxylic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2(C1=O)CC(N(C2)C(=O)CCCS)C(=O)O

Isomeric SMILES

C1CC(=O)C2(C1=O)CC(N(C2)C(=O)CCCS)C(=O)O

InChI

InChI=1S/C13H17NO5S/c15-9-3-4-10(16)13(9)6-8(12(18)19)14(7-13)11(17)2-1-5-20/h8,20H,1-7H2,(H,18,19)