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

Systemtic Name: hexanoyloxymethyl 6-iodanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: hexanoyloxymethyl 6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-oxohexoxymethyl ester IUPAC Name: hexanoyloxymethyl 6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-iodo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid caproyloxymethyl ester Formula: C15H22INO5S MolecularWeight: 455.30835

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCOC(=O)C1C(SC2N1C(=O)C2I)(C)C

Isomeric SMILES

CCCCCC(=O)OCOC(=O)C1C(SC2N1C(=O)C2I)(C)C

InChI

InChI=1S/C15H22INO5S/c1-4-5-6-7-9(18)21-8-22-14(20)11-15(2,3)23-13-10(16)12(19)17(11)13/h10-11,13H,4-8H2,1-3H3