sodium 3-(1-acetyloxy-2-oxidanyl-ethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 3-(1-acetyloxy-2-oxidanyl-ethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(1-acetoxy-2-hydroxy-ethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(1-acetyloxy-2-hydroxyethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(1-acetyloxy-2-hydroxyethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(1-acetoxy-2-hydroxy-ethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H17N2NaO7S2 MolecularWeight: 448.44585

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CO)C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OC(CO)C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H18N2O7S2.Na/c1-8(21)26-11(6-20)10-7-28-16-13(15(23)19(16)14(10)17(24)25)18-12(22)5-9-3-2-4-27-9;/h2-4,11,13,16,20H,5-7H2,1H3,(H,18,22)(H,24,25);/q;+1/p-1