2-[[(3,4-Dihydro-3,3-dimethyl-1-isoquinolinyl)methyl]thio]benzoic acid

CAS Registry Number®

332358-90-4
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CAS Name

2-[[(3,4-Dihydro-3,3-dimethyl-1-isoquinolinyl)methyl]thio]benzoic acid

Molecular Formula

C19H19NO2S

Molecular Mass

325.42

Cite this Page

2-[[(3,4-Dihydro-3,3-dimethyl-1-isoquinolinyl)methyl]thio]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=332358-90-4 (retrieved 2024-09-06) (CAS RN: 332358-90-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H19NO2S/c1-19(2)11-13-7-3-4-8-14(13)16(20-19)12-23-17-10-6-5-9-15(17)18(21)22/h3-10H,11-12H2,1-2H3,(H,21,22)

InChIKey

InChIKey=FHOXRVCLHWCBCV-UHFFFAOYSA-N

SMILES

C(SC1=C(C(O)=O)C=CC=C1)C=2C=3C(CC(C)(C)N2)=CC=CC3

Canonical SMILES

O=C(O)C=1C=CC=CC1SCC2=NC(C)(C)CC=3C=CC=CC23

Other Names for this Substance

  • Benzoic acid, 2-[[(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)methyl]thio]-
  • 2-[[(3,4-Dihydro-3,3-dimethyl-1-isoquinolinyl)methyl]thio]benzoic acid