1,1-Dimethylethyl 2-[[(4-cyano-2-pyridinyl)sulfinyl]methyl]-1-pyrrolidinecarboxylate

CAS Registry Number®

1420836-28-7

CAS Name

1,1-Dimethylethyl 2-[[(4-cyano-2-pyridinyl)sulfinyl]methyl]-1-pyrrolidinecarboxylate

Molecular Formula

C16H21N3O3S

Molecular Mass

335.42

Cite this Page

1,1-Dimethylethyl 2-[[(4-cyano-2-pyridinyl)sulfinyl]methyl]-1-pyrrolidinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1420836-28-7 (retrieved 2024-12-12) (CAS RN: 1420836-28-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H21N3O3S/c1-16(2,3)22-15(20)19-8-4-5-13(19)11-23(21)14-9-12(10-17)6-7-18-14/h6-7,9,13H,4-5,8,11H2,1-3H3

InChIKey

InChIKey=SZLILAGUPCKYDR-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1C(CS(=O)C2=CC(C#N)=CC=N2)CCC1

Canonical SMILES

N#CC=1C=CN=C(C1)S(=O)CC2N(C(=O)OC(C)(C)C)CCC2

Other Names for this Substance

  • 1-Pyrrolidinecarboxylic acid, 2-[[(4-cyano-2-pyridinyl)sulfinyl]methyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 2-[[(4-cyano-2-pyridinyl)sulfinyl]methyl]-1-pyrrolidinecarboxylate

CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background