3-[(4-methylphenyl)sulfonylmethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[(4-methylphenyl)sulfonylmethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 7-oxo-3-(p-tolylsulfonylmethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[(4-methylphenyl)sulfonylmethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[(4-methylphenyl)sulfonylmethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-3-(tosylmethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N3C(C2)CC3=O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N3C(C2)CC3=O)C(=O)O

InChI

InChI=1S/C15H15NO5S/c1-9-2-4-12(5-3-9)22(20,21)8-10-6-11-7-13(17)16(11)14(10)15(18)19/h2-5,11H,6-8H2,1H3,(H,18,19)