sodium 3-(methoxymethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 3-(methoxymethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(methoxymethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(methoxymethyl)-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(methoxymethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 8-keto-3-(methoxymethyl)-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H17N2NaO6S MolecularWeight: 400.38145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

COCC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H18N2O6S.Na/c1-24-7-10-9-26-16-13(15(21)19(16)14(10)17(22)23)18-12(20)8-25-11-5-3-2-4-6-11;/h2-6,13,16H,7-9H2,1H3,(H,18,20)(H,22,23);/q;+1/p-1