tert-butyl 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O3S/c1-14(18-22-16-8-6-7-9-17(16)28-18)23(5)19(25)15-10-12-24(13-11-15)20(26)27-21(2,3)4/h6-9,14-15H,10-13H2,1-5H3/t14-/m1/s1