3-oxidanylidene-5-(2-oxidanylidene-2-sulfanyl-ethyl)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-oxidanylidene-5-(2-oxidanylidene-2-sulfanyl-ethyl)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-oxo-5-(2-oxo-2-sulfanyl-ethyl)isothiazole-4-carboxylic acid CAS Name: 5-(2-mercapto-2-oxoethyl)-3-oxo-4-isothiazolecarboxylic acid IUPAC Name: 3-oxo-5-(2-oxo-2-sulfanylethyl)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-keto-5-(2-keto-2-mercapto-ethyl)-4-isothiazoline-4-carboxylic acid Formula: C6H5NO4S2 MolecularWeight: 219.2382

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(C(=O)NS1)C(=O)O)C(=O)S

Isomeric SMILES

C(C1=C(C(=O)NS1)C(=O)O)C(=O)S

InChI

InChI=1S/C6H5NO4S2/c8-3(12)1-2-4(6(10)11)5(9)7-13-2/h1H2,(H,7,9)(H,8,12)(H,10,11)