(2-oxidanylidene-2-piperidin-1-yl-ethyl) 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC(=O)N4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC(=O)N4CCCCC4

InChI

InChI=1S/C22H28N2O3S/c25-20(24-13-7-2-8-14-24)16-27-21(26)22(11-5-1-6-12-22)15-19-23-17-9-3-4-10-18(17)28-19/h3-4,9-10H,1-2,5-8,11-16H2