tert-butyl 2-bromanyl-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: tert-butyl 2-bromanyl-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: tert-butyl 2-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 2-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 2-bromo-6-(1-hydroxyethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid tert-butyl ester Formula: C14H22BrNO4S MolecularWeight: 380.29778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(C(S2)(C)C)(C(=O)OC(C)(C)C)Br)O

Isomeric SMILES

CC(C1C2N(C1=O)C(C(S2)(C)C)(C(=O)OC(C)(C)C)Br)O

InChI

InChI=1S/C14H22BrNO4S/c1-7(17)8-9(18)16-10(8)21-13(5,6)14(16,15)11(19)20-12(2,3)4/h7-8,10,17H,1-6H3