1-(2-methoxyethanoyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 1-(2-methoxyethanoyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-(tert-butoxycarbonylamino)-1-(2-methoxyacetyl)-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 1-(2-methoxy-1-oxoethyl)-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 1-(2-methoxyacetyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(tert-butoxycarbonylamino)-8-keto-1-(2-methoxyacetyl)-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H20N2O7S MolecularWeight: 372.3935

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2[N+](C1=O)(C(=CCS2)C(=O)[O-])C(=O)COC

Isomeric SMILES

CC(C)(C)OC(=O)NC1C2[N+](C1=O)(C(=CCS2)C(=O)[O-])C(=O)COC

InChI

InChI=1S/C15H20N2O7S/c1-15(2,3)24-14(22)16-10-11(19)17(9(18)7-23-4)8(13(20)21)5-6-25-12(10)17/h5,10,12H,6-7H2,1-4H3,(H-,16,20,21,22)