5-methylsulfanyl-3-oxidanylidene-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-methylsulfanyl-3-oxidanylidene-1,2-thiazole-4-carboxylic acid Openeye Name: 5-methylsulfanyl-3-oxo-isothiazole-4-carboxylic acid CAS Name: 5-(methylthio)-3-oxo-4-isothiazolecarboxylic acid IUPAC Name: 5-methylsulfanyl-3-oxo-1,2-thiazole-4-carboxylic acid Traditional Name: 3-keto-5-(methylthio)-4-isothiazoline-4-carboxylic acid Formula: C5H5NO3S2 MolecularWeight: 191.2281

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)NS1)C(=O)O

Isomeric SMILES

CSC1=C(C(=O)NS1)C(=O)O

InChI

InChI=1S/C5H5NO3S2/c1-10-5-2(4(8)9)3(7)6-11-5/h1H3,(H,6,7)(H,8,9)