7-(1-hydroxyethyl)-3-(4-methylphenyl)sulfonyloxy-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(1-hydroxyethyl)-3-(4-methylphenyl)sulfonyloxy-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(1-hydroxyethyl)-8-oxo-3-(p-tolylsulfonyloxy)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(1-hydroxyethyl)-3-(4-methylphenyl)sulfonyloxy-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(1-hydroxyethyl)-3-(4-methylphenyl)sulfonyloxy-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(1-hydroxyethyl)-8-keto-3-tosyloxy-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H19NO7S MolecularWeight: 381.40026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N3C(CC2)C(C3=O)C(C)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N3C(CC2)C(C3=O)C(C)O)C(=O)O

InChI

InChI=1S/C17H19NO7S/c1-9-3-5-11(6-4-9)26(23,24)25-13-8-7-12-14(10(2)19)16(20)18(12)15(13)17(21)22/h3-6,10,12,14,19H,7-8H2,1-2H3,(H,21,22)