2,2-dimethylpropanoyloxymethyl 7-(1H-imidazol-2-ylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 7-(1H-imidazol-2-ylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 7-(1H-imidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-(1H-imidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 7-(1H-imidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(1H-imidazol-2-ylamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivaloyloxymethyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC3=NC=CN3)SC1)C(=O)OCOC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC3=NC=CN3)SC1)C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C17H22N4O5S/c1-9-7-27-13-10(20-16-18-5-6-19-16)12(22)21(13)11(9)14(23)25-8-26-15(24)17(2,3)4/h5-6,10,13H,7-8H2,1-4H3,(H2,18,19,20)