5-[(2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)carbothioyl]-3-oxidanylidene-1,2-thiazole-4-carboxylate

Systemtic Name: 5-[(2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)carbothioyl]-3-oxidanylidene-1,2-thiazole-4-carboxylate Openeye Name: 5-(2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carbothioyl)-3-oxo-isothiazole-4-carboxylate CAS Name: 5-[(2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)-sulfanylidenemethyl]-3-oxo-4-isothiazolecarboxylate IUPAC Name: 5-(2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carbothioyl)-3-oxo-1,2-thiazole-4-carboxylate Traditional Name: 5-(2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carbothioyl)-3-keto-4-isothiazoline-4-carboxylate Formula: C12H7N2O6S3- MolecularWeight: 371.38878

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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)/p-1