7-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-1-pyridin-1-ium-1-ylsulfanyl-propyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-1-pyridin-1-ium-1-ylsulfanyl-propyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-(3-tert-butoxy-3-oxo-1-pyridin-1-ium-1-ylsulfanyl-propyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-(1-pyridin-1-iumylthio)propyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-1-ium-1-ylsulfanylpropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[3-tert-butoxy-3-keto-1-(pyridin-1-ium-1-ylthio)propyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1C2N(C1=O)C(=CCS2)C(=O)[O-])S[N+]3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC(C1C2N(C1=O)C(=CCS2)C(=O)[O-])S[N+]3=CC=CC=C3

InChI

InChI=1S/C19H22N2O5S2/c1-19(2,3)26-14(22)11-13(28-20-8-5-4-6-9-20)15-16(23)21-12(18(24)25)7-10-27-17(15)21/h4-9,13,15,17H,10-11H2,1-3H3