4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[(2-bromo-1-oxobutyl)amino]-5,6,7,8-tetrahydro-, ethyl ester

CAS Registry Number®

1365963-56-9

CAS Name

4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[(2-bromo-1-oxobutyl)amino]-5,6,7,8-tetrahydro-, ethyl ester

Molecular Formula

C16H22BrNO3S

Molecular Mass

388.32

Cite this Page

4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[(2-bromo-1-oxobutyl)amino]-5,6,7,8-tetrahydro-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1365963-56-9 (retrieved 2024-11-21) (CAS RN: 1365963-56-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H22BrNO3S/c1-3-11(17)14(19)18-15-13(16(20)21-4-2)10-8-6-5-7-9-12(10)22-15/h11H,3-9H2,1-2H3,(H,18,19)

InChIKey

InChIKey=LLRMFLUVFFWNPV-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C2=C(SC1NC(C(CC)Br)=O)CCCCC2

Canonical SMILES

O=C(OCC)C1=C(SC2=C1CCCCC2)NC(=O)C(Br)CC

Other Names for this Substance

  • 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[(2-bromo-1-oxobutyl)amino]-5,6,7,8-tetrahydro-, ethyl ester
  • Ethyl 2-(2-bromobutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxylate
  • Ethyl 2-[(2-bromobutanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration