tert-butyl 4-[2-(1,3-benzothiazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(1,3-benzothiazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-benzothiazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[2-(1,3-benzothiazol-2-yl)ethylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-benzothiazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H27N3O3S/c1-20(2,3)26-19(25)23-12-9-14(10-13-23)18(24)21-11-8-17-22-15-6-4-5-7-16(15)27-17/h4-7,14H,8-13H2,1-3H3,(H,21,24)