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

Systemtic Name: sodium 8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1,3-diazabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: sodium 8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1,3-diazabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: sodium 8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1,3-diazabicyclo[4.2.0]oct-3-ene-2-carboxylate IUPAC Name: sodium 8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1,3-diazabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: sodium 8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1,3-diazabicyclo[4.2.0]oct-3-ene-2-carboxylate Formula: C14H12N3NaO5S MolecularWeight: 357.31695

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2C3N(C2=O)C(N=CS3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2C3N(C2=O)C(N=CS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H13N3O5S.Na/c18-9(6-22-8-4-2-1-3-5-8)16-10-12(19)17-11(14(20)21)15-7-23-13(10)17;/h1-5,7,10-11,13H,6H2,(H,16,18)(H,20,21);/q;+1/p-1