Ethyl 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-hydroxy-α,α-dimethyl-1H-indole-2-propanoate

CAS Registry Number®

154325-77-6
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CAS Name

Ethyl 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-hydroxy-α,α-dimethyl-1H-indole-2-propanoate

Molecular Formula

C26H32ClNO3S

Molecular Mass

474.06

Cite this Page

Ethyl 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-hydroxy-α,α-dimethyl-1H-indole-2-propanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=154325-77-6 (retrieved 2024-07-01) (CAS RN: 154325-77-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H32ClNO3S/c1-7-31-24(30)26(5,6)15-22-23(32-25(2,3)4)20-14-19(29)12-13-21(20)28(22)16-17-8-10-18(27)11-9-17/h8-14,29H,7,15-16H2,1-6H3

InChIKey

InChIKey=AVBTZHWSUJBQKD-UHFFFAOYSA-N

SMILES

C(C(C(OCC)=O)(C)C)C1=C(SC(C)(C)C)C=2C(N1CC3=CC=C(Cl)C=C3)=CC=C(O)C2

Canonical SMILES

O=C(OCC)C(C)(C)CC1=C(SC(C)(C)C)C=2C=C(O)C=CC2N1CC3=CC=C(Cl)C=C3

Other Names for this Substance

  • 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-hydroxy-α,α-dimethyl-, ethyl ester
  • Ethyl 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-hydroxy-α,α-dimethyl-1H-indole-2-propanoate

Deleted or Replaced CAS Registry Numbers

1206880-39-8