2-hexanoyloxypropan-2-yl 6-bromanyl-6-chloranyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 2-hexanoyloxypropan-2-yl 6-bromanyl-6-chloranyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (1-hexanoyloxy-1-methyl-ethyl) 6-bromo-6-chloro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-6-chloro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-(1-oxohexoxy)propan-2-yl ester IUPAC Name: 2-hexanoyloxypropan-2-yl 6-bromo-6-chloro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-6-chloro-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (1-caproyloxy-1-methyl-ethyl) ester Formula: C17H25BrClNO5S MolecularWeight: 470.8061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C)(C)OC(=O)C1C(SC2N1C(=O)C2(Cl)Br)(C)C

Isomeric SMILES

CCCCCC(=O)OC(C)(C)OC(=O)C1C(SC2N1C(=O)C2(Cl)Br)(C)C

InChI

InChI=1S/C17H25BrClNO5S/c1-6-7-8-9-10(21)24-16(4,5)25-12(22)11-15(2,3)26-14-17(18,19)13(23)20(11)14/h11,14H,6-9H2,1-5H3