1,1-Dimethylethyl 3-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-piperidinecarboxylate

CAS Registry Number®

1353958-58-3
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CAS Name

1,1-Dimethylethyl 3-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-piperidinecarboxylate

Molecular Formula

C17H22N4O4S

Molecular Mass

378.45

Cite this Page

1,1-Dimethylethyl 3-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-piperidinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1353958-58-3 (retrieved 2024-09-11) (CAS RN: 1353958-58-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H22N4O4S/c1-17(2,3)25-16(22)20-8-4-5-12(10-20)26-15-18-13-7-6-11(21(23)24)9-14(13)19-15/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,18,19)

InChIKey

InChIKey=QBKVHVIVMGIVEQ-UHFFFAOYSA-N

SMILES

S(C=1NC=2C(N1)=CC=C(N(=O)=O)C2)C3CN(C(OC(C)(C)C)=O)CCC3

Canonical SMILES

O=C(OC(C)(C)C)N1CCCC(SC2=NC=3C=CC(=CC3N2)N(=O)=O)C1

Other Names for this Substance

  • 1-Piperidinecarboxylic acid, 3-[(6-nitro-1H-benzimidazol-2-yl)thio]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-piperidinecarboxylate