5-[(7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl)carbonyloxysulfanyl]-3-oxidanylidene-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-[(7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl)carbonyloxysulfanyl]-3-oxidanylidene-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl)oxysulfanyl-3-oxo-isothiazole-4-carboxylic acid CAS Name: 5-[[(7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl)-oxomethoxy]thio]-3-oxo-4-isothiazolecarboxylic acid IUPAC Name: 5-(7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl)oxysulfanyl-3-oxo-1,2-thiazole-4-carboxylic acid Traditional Name: 3-keto-5-[(8-keto-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl)oxythio]-4-isothiazoline-4-carboxylic acid Formula: C12H10N2O6S3 MolecularWeight: 374.4126

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2N(C1=O)C(=CCS2)C(=O)OSC3=C(C(=O)NS3)C(=O)O

Isomeric SMILES

CC1C2N(C1=O)C(=CCS2)C(=O)OSC3=C(C(=O)NS3)C(=O)O

InChI

InChI=1S/C12H10N2O6S3/c1-4-8(16)14-5(2-3-21-9(4)14)11(19)20-23-12-6(10(17)18)7(15)13-22-12/h2,4,9H,3H2,1H3,(H,13,15)(H,17,18)