3-[(4-carboxy-3-oxidanylidene-1,2-thiazol-5-yl)carbothioyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(4-carboxy-3-oxidanylidene-1,2-thiazol-5-yl)carbothioyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(4-carboxy-3-oxo-isothiazole-5-carbothioyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(4-carboxy-3-oxo-5-isothiazolyl)-sulfanylidenemethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(4-carboxy-3-oxo-1,2-thiazole-5-carbothioyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(4-carboxy-3-keto-4-isothiazoline-5-carbothioyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H8N2O6S3 MolecularWeight: 372.39672

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)C(=S)C3=C(C(=O)NS3)C(=O)O)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)C(=S)C3=C(C(=O)NS3)C(=O)O)C(=O)O

InChI

InChI=1S/C12H8N2O6S3/c15-4-1-5-14(4)7(12(19)20)3(2-22-5)8(21)9-6(11(17)18)10(16)13-23-9/h5H,1-2H2,(H,13,16)(H,17,18)(H,19,20)