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

Systemtic Name: 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(acetoxymethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(acetyloxymethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H17N2O7S- MolecularWeight: 405.40178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)[O-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c1-10(21)26-7-11-9-28-17-14(16(23)20(17)15(11)18(24)25)19-13(22)8-27-12-5-3-2-4-6-12/h2-6,14,17H,7-9H2,1H3,(H,19,22)(H,24,25)/p-1