3-acetamido-2-ethanoylsulfanyl-4-oxidanylidene-azetidine-1-sulfonate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene

Systemtic Name: 3-acetamido-2-ethanoylsulfanyl-4-oxidanylidene-azetidine-1-sulfonate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Openeye Name: 3-acetamido-2-acetylsulfanyl-4-oxo-azetidine-1-sulfonate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene CAS Name: 3-acetamido-2-(acetylthio)-4-oxo-1-azetidinesulfonate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: 3-acetamido-2-acetylsulfanyl-4-oxoazetidine-1-sulfonate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: 3-acetamido-2-(acetylthio)-4-keto-azetidine-1-sulfonate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C13H13N2O7S2- MolecularWeight: 373.38152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(N(C1=O)S(=O)(=O)[O-])SC(=O)C.C1=CC2=CC(=C1)O2

Isomeric SMILES

CC(=O)NC1C(N(C1=O)S(=O)(=O)[O-])SC(=O)C.C1=CC2=CC(=C1)O2

InChI

InChI=1S/C7H10N2O6S2.C6H4O/c1-3(10)8-5-6(12)9(17(13,14)15)7(5)16-4(2)11;1-2-5-4-6(3-1)7-5/h5,7H,1-2H3,(H,8,10)(H,13,14,15);1-4H/p-1