Ethyl 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

CAS Registry Number®

76981-88-9

CAS Name

Ethyl 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Molecular Formula

C14H18ClNO3S

Molecular Mass

315.82

Cite this Page

Ethyl 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76981-88-9 (retrieved 2024-11-22) (CAS RN: 76981-88-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    98 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C14H18ClNO3S/c1-2-19-14(18)12-9-6-4-3-5-7-10(9)20-13(12)16-11(17)8-15/h2-8H2,1H3,(H,16,17)

InChIKey

InChIKey=BPXRKUOHWSBUQS-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C2=C(SC1NC(CCl)=O)CCCCC2

Canonical SMILES

O=C(OCC)C1=C(SC2=C1CCCCC2)NC(=O)CCl

Other Names for this Substance

  • 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-, ethyl ester
  • 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[(chloroacetyl)amino]-5,6,7,8-tetrahydro-, ethyl ester
  • Ethyl 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
  • 2-(2-Chloro-acetylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester

CAS INSIGHTSTM
Targeted protein degrader structure, illustration