2-[3-iodanyl-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octan-2-yl]ethanoate

Systemtic Name: 2-[3-iodanyl-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octan-2-yl]ethanoate Openeye Name: 2-[3-iodo-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octan-2-yl]acetate CAS Name: 2-[3-iodo-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]octan-2-yl]acetate IUPAC Name: 2-[3-iodo-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octan-2-yl]acetate Traditional Name: 2-[3-iodo-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octan-2-yl]acetate Formula: C17H18IN2O5S- MolecularWeight: 489.30469

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1CC(=O)[O-])NC(=O)COC3=CC=CC=C3)I

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1CC(=O)[O-])NC(=O)COC3=CC=CC=C3)I

InChI

InChI=1S/C17H19IN2O5S/c1-17(18)9-26-16-14(15(24)20(16)11(17)7-13(22)23)19-12(21)8-25-10-5-3-2-4-6-10/h2-6,11,14,16H,7-9H2,1H3,(H,19,21)(H,22,23)/p-1