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

Systemtic Name: 3-(acetyloxymethyl)-7-methoxy-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(acetoxymethyl)-7-methoxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-methoxy-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(acetyloxymethyl)-7-methoxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-8-keto-7-methoxy-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H19N2O7S- MolecularWeight: 419.42836

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)OC)SC1)C(=O)[O-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CC=C3)OC)SC1)C(=O)[O-]

InChI

InChI=1S/C19H20N2O7S/c1-11(22)28-9-13-10-29-18-19(27-2,17(26)21(18)15(13)16(24)25)20-14(23)8-12-6-4-3-5-7-12/h3-7,18H,8-10H2,1-2H3,(H,20,23)(H,24,25)/p-1