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

Systemtic Name: potassium 3-(acetyloxymethyl)-7-(heptanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: potassium 3-(acetoxymethyl)-7-(heptanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: potassium 3-(acetyloxymethyl)-8-oxo-7-(1-oxoheptylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: potassium 3-(acetyloxymethyl)-7-(heptanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: potassium 3-(acetoxymethyl)-7-(enanthylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H23KN2O6S MolecularWeight: 422.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)[O-].[K+]

Isomeric SMILES

CCCCCCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)[O-].[K+]

InChI

InChI=1S/C17H24N2O6S.K/c1-3-4-5-6-7-12(21)18-13-15(22)19-14(17(23)24)11(8-25-10(2)20)9-26-16(13)19;/h13,16H,3-9H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1