2-Benzothiazolecarboxylic acid, 5-nitro-7-(trifluoromethyl)-, ethyl ester

CAS Registry Number®

40160-45-0
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CAS Name

2-Benzothiazolecarboxylic acid, 5-nitro-7-(trifluoromethyl)-, ethyl ester

Molecular Formula

C11H7F3N2O4S

Molecular Mass

320.24

Cite this Page

2-Benzothiazolecarboxylic acid, 5-nitro-7-(trifluoromethyl)-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40160-45-0 (retrieved 2024-09-20) (CAS RN: 40160-45-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H7F3N2O4S/c1-2-20-10(17)9-15-7-4-5(16(18)19)3-6(8(7)21-9)11(12,13)14/h3-4H,2H2,1H3

InChIKey

InChIKey=SOKQOUXISAXWBP-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C1=C2C(=CC(N(=O)=O)=C1)N=C(C(OCC)=O)S2

Canonical SMILES

O=C(OCC)C1=NC=2C=C(C=C(C2S1)C(F)(F)F)N(=O)=O

Other Names for this Substance

  • 2-Benzothiazolecarboxylic acid, 5-nitro-7-(trifluoromethyl)-, ethyl ester
  • Ethyl 5-nitro-7-(trifluoromethyl)-2-benzothiazolecarboxylate