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

Systemtic Name: sodium 8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H13N2NaO4S MolecularWeight: 340.32949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H14N2O4S.Na/c18-11(8-9-4-2-1-3-5-9)16-12-13(19)17-10(15(20)21)6-7-22-14(12)17;/h1-6,12,14H,7-8H2,(H,16,18)(H,20,21);/q;+1/p-1