3-Ethyl 2-[(2-carboxybenzoyl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

CAS Registry Number®

60442-48-0
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CAS Name

3-Ethyl 2-[(2-carboxybenzoyl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Molecular Formula

C19H19NO5S

Molecular Mass

373.42

Cite this Page

3-Ethyl 2-[(2-carboxybenzoyl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60442-48-0 (retrieved 2024-06-26) (CAS RN: 60442-48-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    173-176 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C19H19NO5S/c1-2-25-19(24)15-13-9-5-6-10-14(13)26-17(15)20-16(21)11-7-3-4-8-12(11)18(22)23/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,20,21)(H,22,23)

InChIKey

InChIKey=QRKGNIKWFKAJHB-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C2=C(SC1NC(=O)C3=C(C(O)=O)C=CC=C3)CCCC2

Canonical SMILES

O=C(O)C=1C=CC=CC1C(=O)NC=2SC3=C(C2C(=O)OCC)CCCC3

Other Names for this Substance

  • Benzo[b]thiophene-3-carboxylic acid, 2-[(2-carboxybenzoyl)amino]-4,5,6,7-tetrahydro-, 3-ethyl ester
  • 3-Ethyl 2-[(2-carboxybenzoyl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
  • 2-[(3-Ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid
  • 2-(2-Carboxy-benzoylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

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