tert-butyl 7-bromanyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-bromanyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-bromo-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-bromo-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-bromo-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-bromo-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C12H16BrNO3S MolecularWeight: 334.22934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)Br)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N2C(C(C2=O)Br)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H16BrNO3S/c1-6-5-18-10-7(13)9(15)14(10)8(6)11(16)17-12(2,3)4/h7,10H,5H2,1-4H3