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

Systemtic Name: tert-butyl 3-(acetyloxymethyl)-7-(2-bromanylethanoylamino)-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-(acetoxymethyl)-7-[(2-bromoacetyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-[(2-bromo-1-oxoethyl)amino]-7-methoxy-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-[(2-bromoacetyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-[(2-bromoacetyl)amino]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C17H23BrN2O7S MolecularWeight: 479.34272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrN2O7S/c1-9(21)26-7-10-8-28-15-17(25-5,19-11(22)6-18)14(24)20(15)12(10)13(23)27-16(2,3)4/h15H,6-8H2,1-5H3,(H,19,22)