8-oxidanylidene-4-(2-phenylethanoylamino)-3-(trifluoromethylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-4-(2-phenylethanoylamino)-3-(trifluoromethylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-4-[(2-phenylacetyl)amino]-3-(trifluoromethylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-4-[(1-oxo-2-phenylethyl)amino]-3-(trifluoromethylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-4-[(2-phenylacetyl)amino]-3-(trifluoromethylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-4-[(2-phenylacetyl)amino]-3-triflyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H13F3N2O7S2 MolecularWeight: 466.40883

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(C(S2)NC(=O)CC3=CC=CC=C3)OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(C(S2)NC(=O)CC3=CC=CC=C3)OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

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