Benthiavalicarb isopropyl

CAS Registry Number®

177406-68-7

CAS Name

Benthiavalicarb isopropyl

Molecular Formula

C18H24FN3O3S

Molecular Mass

381.46

Cite this Page

Benthiavalicarb isopropyl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=177406-68-7 (retrieved 2024-11-21) (CAS RN: 177406-68-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    152.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15+/m1/s1

InChIKey

InChIKey=USRKFGIXLGKMKU-ABAIWWIYSA-N

SMILES

[C@@H](NC([C@@H](NC(OC(C)C)=O)C(C)C)=O)(C)C=1SC=2C(N1)=CC=C(F)C2

Canonical SMILES

O=C(OC(C)C)NC(C(=O)NC(C1=NC=2C=CC(F)=CC2S1)C)C(C)C

Other Names for this Substance

  • Carbamic acid, N-[(1S)-1-[[[(1R)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]-, 1-methylethyl ester
  • Carbamic acid, [1-[[[1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]-, 1-methylethyl ester, [S-(R*,S*)]-
  • Carbamic acid, [(1S)-1-[[[(1R)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]-, 1-methylethyl ester
  • 1-Methylethyl [(1S)-1-[[[(1R)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]carbamate
  • Benthiavalicarb isopropyl

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Deleted or Replaced CAS Registry Numbers

365564-65-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration