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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)[C@H]2CCCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H26N2O3S/c24-19(23-12-6-1-7-13-23)14-26-21(25)16-9-3-2-8-15(16)20-22-17-10-4-5-11-18(17)27-20/h4-5,10-11,15-16H,1-3,6-9,12-14H2/t15-,16+/m1/s1