tert-butyl 4-bromanyl-3-(bromomethyl)-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 4-bromanyl-3-(bromomethyl)-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 4-bromo-3-(bromomethyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 4-bromo-3-(bromomethyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-bromo-3-(bromomethyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 4-bromo-3-(bromomethyl)-7-formamido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C13H16Br2N2O4S MolecularWeight: 456.15014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(SC2N1C(=O)C2NC=O)Br)CBr

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(SC2N1C(=O)C2NC=O)Br)CBr

InChI

InChI=1S/C13H16Br2N2O4S/c1-13(2,3)21-12(20)8-6(4-14)9(15)22-11-7(16-5-18)10(19)17(8)11/h5,7,9,11H,4H2,1-3H3,(H,16,18)