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

Systemtic Name: sodium 3-methylsulfonyloxy-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-methylsulfonyloxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-methylsulfonyloxy-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-methylsulfonyloxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 8-keto-3-methylsulfonyloxy-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H15N2NaO7S2 MolecularWeight: 434.41927

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)OC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H16N2O7S2.Na/c1-27(23,24)25-10-8-26-15-12(14(20)18(15)13(10)16(21)22)17-11(19)7-9-5-3-2-4-6-9;/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,21,22);/q;+1/p-1