1-ethoxycarbonyloxyethyl 3,3-dimethyl-7-oxidanylidene-6-(phenylmethyl)sulfonyloxy-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 1-ethoxycarbonyloxyethyl 3,3-dimethyl-7-oxidanylidene-6-(phenylmethyl)sulfonyloxy-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 1-ethoxycarbonyloxyethyl 6-benzylsulfonyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-7-oxo-6-(phenylmethyl)sulfonyloxy-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 6-benzylsulfonyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-benzylsulfonyloxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-carbethoxyoxyethyl ester Formula: C20H25NO9S2 MolecularWeight: 487.5438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2OS(=O)(=O)CC3=CC=CC=C3)(C)C

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2OS(=O)(=O)CC3=CC=CC=C3)(C)C

InChI

InChI=1S/C20H25NO9S2/c1-5-27-19(24)29-12(2)28-18(23)15-20(3,4)31-17-14(16(22)21(15)17)30-32(25,26)11-13-9-7-6-8-10-13/h6-10,12,14-15,17H,5,11H2,1-4H3