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

Systemtic Name: 3-methylsulfonyloxy-8-oxidanylidene-4-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methylsulfonyloxy-8-oxo-4-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methylsulfonyloxy-8-oxo-4-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methylsulfonyloxy-8-oxo-4-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methylsulfonyloxy-4-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O7S2 MolecularWeight: 412.43744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(N2C(CC2=O)SC1NC(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)OC1=C(N2C(CC2=O)SC1NC(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H16N2O7S2/c1-27(23,24)25-14-13(16(21)22)18-11(20)8-12(18)26-15(14)17-10(19)7-9-5-3-2-4-6-9/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,21,22)