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

Systemtic Name: tert-butyl 7-[bis(bromanyl)methylideneamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-(dibromomethyleneamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-(dibromomethylideneamino)-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-(dibromomethylideneamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(dibromomethyleneamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C13H16Br2N2O3S MolecularWeight: 440.15074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16Br2N2O3S/c1-6-5-21-10-7(16-12(14)15)9(18)17(10)8(6)11(19)20-13(2,3)4/h7,10H,5H2,1-4H3