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

Systemtic Name: (phenylmethyl) 6-[2-(diethylamino)-1-oxidanyl-2-oxidanylidene-ethyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-[2-(diethylamino)-1-hydroxy-2-oxo-ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-[2-(diethylamino)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[2-(diethylamino)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-[2-(diethylamino)-1-hydroxy-2-keto-ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCN(CC)C(=O)C(C1C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C21H28N2O5S/c1-5-22(6-2)18(26)15(24)14-17(25)23-16(21(3,4)29-19(14)23)20(27)28-12-13-10-8-7-9-11-13/h7-11,14-16,19,24H,5-6,12H2,1-4H3