[2-oxidanylidene-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-keto-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] ester Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(CN2C(=O)COC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4)C)C

Isomeric SMILES

CC1(CC2CC(C1)(CN2C(=O)COC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4)C)C

InChI

InChI=1S/C26H28N2O3S/c1-25(2)12-17-13-26(3,15-25)16-28(17)22(29)14-31-24(30)19-9-5-4-8-18(19)23-27-20-10-6-7-11-21(20)32-23/h4-11,17H,12-16H2,1-3H3