2,2,2-tris(fluoranyl)ethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate CAS Name: 4-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-1-piperidinecarboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C16H16F3N3O3S MolecularWeight: 387.37675

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)C(=O)OCC(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)C(=O)OCC(F)(F)F

InChI

InChI=1S/C16H16F3N3O3S/c17-16(18,19)9-25-15(24)22-7-5-10(6-8-22)13(23)21-14-20-11-3-1-2-4-12(11)26-14/h1-4,10H,5-9H2,(H,20,21,23)