5-methyl-6-[2-(4-nitrophenyl)ethanoylperoxymethyl]-7-oxidanylidene-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 5-methyl-6-[2-(4-nitrophenyl)ethanoylperoxymethyl]-7-oxidanylidene-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 5-methyl-6-[[2-(4-nitrophenyl)acetyl]peroxymethyl]-7-oxo-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-mercapto-5-methyl-6-[[2-(4-nitrophenyl)-1-oxoethyl]dioxymethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 5-methyl-6-[[2-(4-nitrophenyl)acetyl]peroxymethyl]-7-oxo-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-3-mercapto-5-methyl-6-[[2-(4-nitrophenyl)acetyl]peroxymethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C17H16N2O8S MolecularWeight: 408.38254

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=C(N1C(=O)C2COOC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)S

Isomeric SMILES

CC12CC(=C(N1C(=O)C2COOC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)S

InChI

InChI=1S/C17H16N2O8S/c1-17-7-12(28)14(16(22)23)18(17)15(21)11(17)8-26-27-13(20)6-9-2-4-10(5-3-9)19(24)25/h2-5,11,28H,6-8H2,1H3,(H,22,23)