3-oxidanylidene-5-sulfanyl-1,2-thiazole-4-carboxylate

Systemtic Name: 3-oxidanylidene-5-sulfanyl-1,2-thiazole-4-carboxylate Openeye Name: 3-oxo-5-sulfanyl-isothiazole-4-carboxylate CAS Name: 5-mercapto-3-oxo-4-isothiazolecarboxylate IUPAC Name: 3-oxo-5-sulfanyl-1,2-thiazole-4-carboxylate Traditional Name: 3-keto-5-mercapto-4-isothiazoline-4-carboxylate Formula: C4H2NO3S2- MolecularWeight: 176.19358

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Descriptors Computed from Structure

Canonical SMILES:

C1(=C(SNC1=O)S)C(=O)[O-]

Isomeric SMILES

C1(=C(SNC1=O)S)C(=O)[O-]

InChI

InChI=1S/C4H3NO3S2/c6-2-1(3(7)8)4(9)10-5-2/h9H,(H,5,6)(H,7,8)/p-1