[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (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-(4-methylpiperidino)ethyl] ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)[C@H]2CCCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H28N2O3S/c1-15-10-12-24(13-11-15)20(25)14-27-22(26)17-7-3-2-6-16(17)21-23-18-8-4-5-9-19(18)28-21/h4-5,8-9,15-17H,2-3,6-7,10-14H2,1H3/t16-,17+/m1/s1