(6R,7R)-8-oxidanylidene-7-(2-phenylethanoylamino)-3-(trifluoromethylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-8-oxidanylidene-7-(2-phenylethanoylamino)-3-(trifluoromethylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-(trifluoromethylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-(trifluoromethylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-(trifluoromethylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-8-keto-7-[(2-phenylacetyl)amino]-3-triflyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H13F3N2O7S2 MolecularWeight: 466.40883

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)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H13F3N2O7S2/c17-16(18,19)30(26,27)28-9-7-29-14-11(13(23)21(14)12(9)15(24)25)20-10(22)6-8-4-2-1-3-5-8/h1-5,11,14H,6-7H2,(H,20,22)(H,24,25)/t11-,14-/m1/s1