2-Acetylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester

CAS Registry Number®

5919-29-9
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CAS Name

2-Acetylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester

Molecular Formula

C13H17NO3S

Molecular Mass

267.34

Cite this Page

2-Acetylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5919-29-9 (retrieved 2024-08-14) (CAS RN: 5919-29-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    119-120 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H17NO3S/c1-3-17-13(16)11-9-6-4-5-7-10(9)18-12(11)14-8(2)15/h3-7H2,1-2H3,(H,14,15)

InChIKey

InChIKey=MYGDFSFTVVUJHF-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C2=C(SC1NC(C)=O)CCCC2

Canonical SMILES

O=C(OCC)C1=C(SC2=C1CCCC2)NC(=O)C

Other Names for this Substance

  • Benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-4,5,6,7-tetrahydro-, ethyl ester
  • Benzo[b]thiophene-3-carboxylic acid, 2-acetamido-4,5,6,7-tetrahydro-, ethyl ester
  • NSC 158556
  • 2-Acetylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester