1-butoxycarbonyloxyethyl 6-bromanyl-6-iodanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 1-butoxycarbonyloxyethyl 6-bromanyl-6-iodanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 1-butoxycarbonyloxyethyl 6-bromo-6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-[butoxy(oxo)methoxy]ethyl ester IUPAC Name: 1-butoxycarbonyloxyethyl 6-bromo-6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-6-iodo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-butoxycarbonyloxyethyl ester Formula: C15H21BrINO6S MolecularWeight: 550.20381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2(Br)I)(C)C

Isomeric SMILES

CCCCOC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2(Br)I)(C)C

InChI

InChI=1S/C15H21BrINO6S/c1-5-6-7-22-13(21)24-8(2)23-10(19)9-14(3,4)25-12-15(16,17)11(20)18(9)12/h8-9,12H,5-7H2,1-4H3