sodium 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-pyridin-3-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-pyridin-3-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(acetoxymethyl)-8-oxo-7-[[2-(3-pyridyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(acetyloxymethyl)-8-oxo-7-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-3-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(acetoxymethyl)-8-keto-7-[[2-(3-pyridyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H16N3NaO6S MolecularWeight: 413.38021

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CN=CC=C3)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CN=CC=C3)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H17N3O6S.Na/c1-9(21)26-7-11-8-27-16-13(15(23)20(16)14(11)17(24)25)19-12(22)5-10-3-2-4-18-6-10;/h2-4,6,13,16H,5,7-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1