Ethyl 3-[[2-[[5-[1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate

CAS Registry Number®

825657-71-4
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CAS Name

Ethyl 3-[[2-[[5-[1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate

Molecular Formula

C25H29N5O5S

Molecular Mass

511.59

Cite this Page

Ethyl 3-[[2-[[5-[1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=825657-71-4 (retrieved 2024-09-06) (CAS RN: 825657-71-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H29N5O5S/c1-5-35-24(33)18-7-6-8-19(14-18)27-22(32)15-36-25-29-28-23(30(25)3)16(2)26-21(31)13-17-9-11-20(34-4)12-10-17/h6-12,14,16H,5,13,15H2,1-4H3,(H,26,31)(H,27,32)

InChIKey

InChIKey=HDLKVERCAMNQTE-UHFFFAOYSA-N

SMILES

C(NC(CC1=CC=C(OC)C=C1)=O)(C)C=2N(C)C(SCC(NC3=CC(C(OCC)=O)=CC=C3)=O)=NN2

Canonical SMILES

O=C(OCC)C=1C=CC=C(C1)NC(=O)CSC2=NN=C(N2C)C(NC(=O)CC3=CC=C(OC)C=C3)C

Other Names for this Substance

  • Benzoic acid, 3-[[2-[[5-[1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester
  • Benzoic acid, 3-[[[[5-[1-[[(4-methoxyphenyl)acetyl]amino]ethyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester
  • Ethyl 3-[[2-[[5-[1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate