[(1S,2S,3S,4S,6R)-2-acetyloxy-4-methyl-7-(4-methylphenyl)sulfonyl-8-oxidanylidene-5-oxa-7-azabicyclo[4.2.0]octan-3-yl] ethanoate

Systemtic Name: [(1S,2S,3S,4S,6R)-2-acetyloxy-4-methyl-7-(4-methylphenyl)sulfonyl-8-oxidanylidene-5-oxa-7-azabicyclo[4.2.0]octan-3-yl] ethanoate Openeye Name: [(1S,2S,3S,4S,6R)-2-acetoxy-4-methyl-8-oxo-7-(p-tolylsulfonyl)-5-oxa-7-azabicyclo[4.2.0]octan-3-yl] acetate CAS Name: acetic acid [(1S,2S,3S,4S,6R)-2-acetyloxy-4-methyl-7-(4-methylphenyl)sulfonyl-8-oxo-5-oxa-7-azabicyclo[4.2.0]octan-3-yl] ester IUPAC Name: [(1S,2S,3S,4S,6R)-2-acetyloxy-4-methyl-7-(4-methylphenyl)sulfonyl-8-oxo-5-oxa-7-azabicyclo[4.2.0]octan-3-yl] acetate Traditional Name: acetic acid [(1S,2S,3S,4S,6R)-2-acetoxy-8-keto-4-methyl-7-tosyl-5-oxa-7-azabicyclo[4.2.0]octan-3-yl] ester Formula: C18H21NO8S MolecularWeight: 411.42624

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C2C(O1)N(C2=O)S(=O)(=O)C3=CC=C(C=C3)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]2[C@@H](O1)N(C2=O)S(=O)(=O)C3=CC=C(C=C3)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C18H21NO8S/c1-9-5-7-13(8-6-9)28(23,24)19-17(22)14-16(27-12(4)21)15(26-11(3)20)10(2)25-18(14)19/h5-8,10,14-16,18H,1-4H3/t10-,14+,15-,16-,18+/m0/s1