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

Systemtic Name: 7-azido-3-(2-methylpropanoyloxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-azido-3-(2-methylpropanoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-azido-3-[(2-methyl-1-oxopropoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-azido-3-(2-methylpropanoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-azido-3-(isobutyryloxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C12H13N4O5S- MolecularWeight: 325.32042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC1=C(N2C(C(C2=O)N=[N+]=[N-])SC1)C(=O)[O-]

Isomeric SMILES

CC(C)C(=O)OCC1=C(N2C(C(C2=O)N=[N+]=[N-])SC1)C(=O)[O-]

InChI

InChI=1S/C12H14N4O5S/c1-5(2)12(20)21-3-6-4-22-10-7(14-15-13)9(17)16(10)8(6)11(18)19/h5,7,10H,3-4H2,1-2H3,(H,18,19)/p-1