2-[3-iodanyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octan-2-yl]ethanoate

Systemtic Name: 2-[3-iodanyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octan-2-yl]ethanoate Openeye Name: 2-[3-iodo-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octan-2-yl]acetate CAS Name: 2-[3-iodo-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]octan-2-yl]acetate IUPAC Name: 2-[3-iodo-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octan-2-yl]acetate Traditional Name: 2-[3-iodo-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octan-2-yl]acetate Formula: C16H16IN2O5S- MolecularWeight: 475.27811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)CC(=O)[O-])I

Isomeric SMILES

C1C(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)CC(=O)[O-])I

InChI

InChI=1S/C16H17IN2O5S/c17-10-8-25-16-14(15(23)19(16)11(10)6-13(21)22)18-12(20)7-24-9-4-2-1-3-5-9/h1-5,10-11,14,16H,6-8H2,(H,18,20)(H,21,22)/p-1