2,2-dimethylpropanoyloxymethyl 3-chloranyl-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 3-chloranyl-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 3-chloro-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-chloro-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3-chloro-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-chloro-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid pivaloyloxymethyl ester Formula: C22H27ClN2O7S MolecularWeight: 498.97698

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OCOC(=O)C(C)(C)C)NC(=O)COC3=CC=CC=C3)Cl

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)OCOC(=O)C(C)(C)C)NC(=O)COC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H27ClN2O7S/c1-21(2,3)20(29)32-12-31-19(28)16-22(4,23)11-33-18-15(17(27)25(16)18)24-14(26)10-30-13-8-6-5-7-9-13/h5-9,15-16,18H,10-12H2,1-4H3,(H,24,26)