(phenylmethyl) 8-(2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoyl)oxy-3-azabicyclo[3.2.1]octane-3-carboxylate

Systemtic Name: (phenylmethyl) 8-(2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoyl)oxy-3-azabicyclo[3.2.1]octane-3-carboxylate Openeye Name: benzyl 8-[2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxy-3-azabicyclo[3.2.1]octane-3-carboxylate CAS Name: 8-(2-cyclopentyl-2-hydroxy-1-oxo-2-thiophen-2-ylethoxy)-3-azabicyclo[3.2.1]octane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8-(2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetyl)oxy-3-azabicyclo[3.2.1]octane-3-carboxylate Traditional Name: 8-[2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxy-3-azabicyclo[3.2.1]octane-3-carboxylic acid benzyl ester Formula: C26H31NO5S MolecularWeight: 469.59304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C4CCC3CN(C4)C(=O)OCC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C4CCC3CN(C4)C(=O)OCC5=CC=CC=C5)O

InChI

InChI=1S/C26H31NO5S/c28-24(26(30,21-9-4-5-10-21)22-11-6-14-33-22)32-23-19-12-13-20(23)16-27(15-19)25(29)31-17-18-7-2-1-3-8-18/h1-3,6-8,11,14,19-21,23,30H,4-5,9-10,12-13,15-17H2