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

Systemtic Name: sodium 3-(acetyloxymethyl)-7-bromanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(acetoxymethyl)-7-bromo-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(acetyloxymethyl)-7-bromo-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(acetyloxymethyl)-7-bromo-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(acetoxymethyl)-7-bromo-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H16BrN2NaO6S MolecularWeight: 491.28821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O6S.Na/c1-10(22)27-8-12-9-28-17-18(19,16(26)21(17)14(12)15(24)25)20-13(23)7-11-5-3-2-4-6-11;/h2-6,17H,7-9H2,1H3,(H,20,23)(H,24,25);/q;+1/p-1