[2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate

Systemtic Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate Openeye Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxo-ethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-3-piperidinecarboxylic acid [2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)nipecotic acid [2-(2,6-dimethylmorpholino)-2-keto-ethyl] ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)COC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CN(CC(O1)C)C(=O)COC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H27N3O4S/c1-14-10-24(11-15(2)28-14)19(25)13-27-20(26)16-6-5-9-23(12-16)21-22-17-7-3-4-8-18(17)29-21/h3-4,7-8,14-16H,5-6,9-13H2,1-2H3