tert-butyl (2R,6R)-3-(bromomethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: tert-butyl (2R,6R)-3-(bromomethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: tert-butyl (2R,6R)-3-(bromomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: (2R,6R)-3-(bromomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,6R)-3-(bromomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: (2R,6R)-3-(bromomethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester Formula: C12H16BrNO3S MolecularWeight: 334.22934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(=CSC2N1C(=O)C2)CBr

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1C(=CS[C@H]2N1C(=O)C2)CBr

InChI

InChI=1S/C12H16BrNO3S/c1-12(2,3)17-11(16)10-7(5-13)6-18-9-4-8(15)14(9)10/h6,9-10H,4-5H2,1-3H3/t9-,10-/m1/s1