Methyl 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetate

CAS Registry Number®

855473-51-7
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CAS Name

Methyl 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetate

Molecular Formula

C36H38ClNO3S

Molecular Mass

600.21

Cite this Page

Methyl 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=855473-51-7 (retrieved 2024-07-07) (CAS RN: 855473-51-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H38ClNO3S/c1-35(2,40)31-10-5-4-8-26(31)14-18-33(42-24-36(19-20-36)23-34(39)41-3)28-9-6-7-25(21-28)11-16-30-17-13-27-12-15-29(37)22-32(27)38-30/h4-13,15-17,21-22,33,40H,14,18-20,23-24H2,1-3H3/b16-11+/t33-/m1/s1

InChIKey

InChIKey=MAWSFAVEWJQZKH-ISYDNLPHSA-N

SMILES

C(S[C@H](CCC1=C(C(C)(C)O)C=CC=C1)C2=CC(/C=C/C3=NC4=C(C=C3)C=CC(Cl)=C4)=CC=C2)C5(CC(OC)=O)CC5

Canonical SMILES

O=C(OC)CC1(CSC(C=2C=CC=C(C=CC=3N=C4C=C(Cl)C=CC4=CC3)C2)CCC=5C=CC=CC5C(O)(C)C)CC1

Other Names for this Substance

  • Cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, methyl ester
  • Methyl 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetate
  • (+)-Methyl (R,E)-2-(1-(((1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropyl)acetate

Deleted or Replaced CAS Registry Numbers

1209005-74-2