7-[(4-carboxy-3-oxidanylidene-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(4-carboxy-3-oxidanylidene-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(4-carboxy-3-oxo-isothiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(4-carboxy-3-oxo-5-isothiazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(4-carboxy-3-oxo-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(4-carboxy-3-keto-4-isothiazolin-5-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H10N2O6S3 MolecularWeight: 374.4126

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)CSC3=C(C(=O)NS3)C(=O)O)C(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)CSC3=C(C(=O)NS3)C(=O)O)C(=O)O

InChI

InChI=1S/C12H10N2O6S3/c15-7-6(11(19)20)12(23-13-7)22-3-4-8(16)14-5(10(17)18)1-2-21-9(4)14/h1,4,9H,2-3H2,(H,13,15)(H,17,18)(H,19,20)