tert-butyl 3-(acetyloxymethyl)-7-(1H-imidazol-2-ylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 3-(acetyloxymethyl)-7-(1H-imidazol-2-ylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-(acetoxymethyl)-7-(1H-imidazol-2-ylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-(1H-imidazol-2-ylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(acetyloxymethyl)-7-(1H-imidazol-2-ylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-(1H-imidazol-2-ylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC3=NC=CN3)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC3=NC=CN3)SC1)C(=O)OC(C)(C)C

InChI

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