1,1-Dimethylethyl 3-[(5-nitro-2-pyridinyl)thio]-1-piperidinecarboxylate

CAS Registry Number®

1353981-38-0
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CAS Name

1,1-Dimethylethyl 3-[(5-nitro-2-pyridinyl)thio]-1-piperidinecarboxylate

Molecular Formula

C15H21N3O4S

Molecular Mass

339.41

Cite this Page

1,1-Dimethylethyl 3-[(5-nitro-2-pyridinyl)thio]-1-piperidinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1353981-38-0 (retrieved 2024-08-15) (CAS RN: 1353981-38-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H21N3O4S/c1-15(2,3)22-14(19)17-8-4-5-12(10-17)23-13-7-6-11(9-16-13)18(20)21/h6-7,9,12H,4-5,8,10H2,1-3H3

InChIKey

InChIKey=SROZNFLNTPUPLE-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1CC(SC2=CC=C(N(=O)=O)C=N2)CCC1

Canonical SMILES

O=C(OC(C)(C)C)N1CCCC(SC2=NC=C(C=C2)N(=O)=O)C1

Other Names for this Substance

  • 1-Piperidinecarboxylic acid, 3-[(5-nitro-2-pyridinyl)thio]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3-[(5-nitro-2-pyridinyl)thio]-1-piperidinecarboxylate