Ethyl 5-[[(2S)-1-acetyl-2,3-dihydro-1H-indol-2-yl]methoxy]-3-[(1,1-dimethylethyl)thio]-1-[[4-(5-fluoro-2-pyrimidinyl)phenyl]methyl]-α,α-dimethyl-1H-indole-2-propanoate

CAS Registry Number®

1431699-64-7
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CAS Name

Ethyl 5-[[(2S)-1-acetyl-2,3-dihydro-1H-indol-2-yl]methoxy]-3-[(1,1-dimethylethyl)thio]-1-[[4-(5-fluoro-2-pyrimidinyl)phenyl]methyl]-α,α-dimethyl-1H-indole-2-propanoate

Molecular Formula

C41H45FN4O4S

Molecular Mass

708.88

Cite this Page

Ethyl 5-[[(2S)-1-acetyl-2,3-dihydro-1H-indol-2-yl]methoxy]-3-[(1,1-dimethylethyl)thio]-1-[[4-(5-fluoro-2-pyrimidinyl)phenyl]methyl]-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=1431699-64-7 (retrieved 2024-08-12) (CAS RN: 1431699-64-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H45FN4O4S/c1-8-49-39(48)41(6,7)21-36-37(51-40(3,4)5)33-20-32(50-25-31-19-29-11-9-10-12-34(29)46(31)26(2)47)17-18-35(33)45(36)24-27-13-15-28(16-14-27)38-43-22-30(42)23-44-38/h9-18,20,22-23,31H,8,19,21,24-25H2,1-7H3/t31-/m0/s1

InChIKey

InChIKey=BQTUVPHCILDXIC-HKBQPEDESA-N

SMILES

C(N1C(CC(C(OCC)=O)(C)C)=C(SC(C)(C)C)C=2C1=CC=C(OC[C@H]3N(C(C)=O)C=4C(C3)=CC=CC4)C2)C5=CC=C(C=C5)C=6N=CC(F)=CN6

Canonical SMILES

O=C(OCC)C(C)(C)CC1=C(SC(C)(C)C)C=2C=C(OCC3N(C(=O)C)C=4C=CC=CC4C3)C=CC2N1CC=5C=CC(=CC5)C6=NC=C(F)C=N6

Other Names for this Substance

  • 1H-Indole-2-propanoic acid, 5-[[(2S)-1-acetyl-2,3-dihydro-1H-indol-2-yl]methoxy]-3-[(1,1-dimethylethyl)thio]-1-[[4-(5-fluoro-2-pyrimidinyl)phenyl]methyl]-α,α-dimethyl-, ethyl ester
  • Ethyl 5-[[(2S)-1-acetyl-2,3-dihydro-1H-indol-2-yl]methoxy]-3-[(1,1-dimethylethyl)thio]-1-[[4-(5-fluoro-2-pyrimidinyl)phenyl]methyl]-α,α-dimethyl-1H-indole-2-propanoate