tert-butyl 6-methoxy-3,3-dimethyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: tert-butyl 6-methoxy-3,3-dimethyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: tert-butyl 6-methoxy-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-methoxy-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-methoxy-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-6-methoxy-3,3-dimethyl-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid tert-butyl ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(NC(=O)COC3=CC=CC=C3)OC)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(NC(=O)COC3=CC=CC=C3)OC)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H28N2O6S/c1-19(2,3)29-16(25)15-20(4,5)30-18-21(27-6,17(26)23(15)18)22-14(24)12-28-13-10-8-7-9-11-13/h7-11,15,18H,12H2,1-6H3,(H,22,24)