Ethyl 5-{[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-1-phenyl-1H-pyrazole-4-carboxylate

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Systematic / IUPAC Name: Ethyl 5-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-1-phenyl-1H-pyrazole-4-carboxylate

ID: Reference3984

Other Names: 1H-Pyrazole-4-carboxylic acid, 5-{[2-(2-benzoxazolylthio)acetyl]amino}-1-phenyl-, ethyl ester

Formula: C21H18N4O4S

Spectral Data

Ethyl 5-{[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-1-phenyl-1H-pyrazole-4-carboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/27/2016 8:20:42 AM
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Identificators

InChI InChI=1S/C21H18N4O4S/c1-2-28-20(27)15-12-22-25(14-8-4-3-5-9-14)19(15)24-18(26)13-30-21-23-16-10-6-7-11-17(16)29-21/h3-12H,2,13H2,1H3,(H,24,26)
InChI Key HGCIJWLRHXBCGU-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3
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Other Names 1H-Pyrazole-4-carboxylic acid, 5-{[2-(2-benzoxazolylthio)acetyl]amino}-1-phenyl-, ethyl ester

In Other Databases

ChemSpider 891349
PubChem 1036939