4-bromanyl-2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

Systemtic Name: 4-bromanyl-2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Openeye Name: 4-bromo-2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one CAS Name: 4-bromo-2-(2,2-dimethyl-1-oxopropyl)-7-methoxy-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one IUPAC Name: 4-bromo-2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Traditional Name: 4-bromo-7-methoxy-3-methyl-2-pivaloyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Formula: C13H18BrNO3S MolecularWeight: 348.25592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)OC)SC1Br)C(=O)C(C)(C)C

Isomeric SMILES

CC1=C(N2C(C(C2=O)OC)SC1Br)C(=O)C(C)(C)C

InChI

InChI=1S/C13H18BrNO3S/c1-6-7(9(16)13(2,3)4)15-11(17)8(18-5)12(15)19-10(6)14/h8,10,12H,1-5H3