potassium 7-acetamido-3-(acetyloxymethyl)-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: potassium 7-acetamido-3-(acetyloxymethyl)-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: potassium 7-acetamido-3-(acetoxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: potassium 7-acetamido-3-(acetyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: potassium 7-acetamido-3-(acetyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: potassium 7-acetamido-3-(acetoxymethyl)-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C13H15KN2O7S MolecularWeight: 382.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)[O-])OC.[K+]

Isomeric SMILES

CC(=O)NC1(C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)[O-])OC.[K+]

InChI

InChI=1S/C13H16N2O7S.K/c1-6(16)14-13(21-3)11(20)15-9(10(18)19)8(4-22-7(2)17)5-23-12(13)15;/h12H,4-5H2,1-3H3,(H,14,16)(H,18,19);/q;+1/p-1