2,2-dimethylpropanoyloxymethyl 3,3-dimethyl-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 3,3-dimethyl-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 6-(benzyloxycarbonylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-7-oxo-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3,3-dimethyl-7-oxo-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(benzyloxycarbonylamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid pivaloyloxymethyl ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)OCC3=CC=CC=C3)C(=O)OCOC(=O)C(C)(C)C)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)OCC3=CC=CC=C3)C(=O)OCOC(=O)C(C)(C)C)C

InChI

InChI=1S/C22H28N2O7S/c1-21(2,3)19(27)31-12-30-18(26)15-22(4,5)32-17-14(16(25)24(15)17)23-20(28)29-11-13-9-7-6-8-10-13/h6-10,14-15,17H,11-12H2,1-5H3,(H,23,28)