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3-Thiophenecarboxylic acid, 5-acetyl-2-[[2-(4-iodo-1H-pyrazol-1-yl)acetyl]amino]-4-methyl-, ethyl ester
SpectraBase Compound ID 1u7w1IYkFXn
InChI InChI=1S/C15H16IN3O4S/c1-4-23-15(22)12-8(2)13(9(3)20)24-14(12)18-11(21)7-19-6-10(16)5-17-19/h5-6H,4,7H2,1-3H3,(H,18,21)
InChIKey AYOGOGSYBMPGDL-UHFFFAOYSA-N
Mol Weight 461.27 g/mol
Molecular Formula C15H16IN3O4S
Exact Mass 460.990622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GL6Tjiywq
Name 3-Thiophenecarboxylic acid, 5-acetyl-2-[[2-(4-iodo-1H-pyrazol-1-yl)acetyl]amino]-4-methyl-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16IN3O4S
InChI InChI=1S/C15H16IN3O4S/c1-4-23-15(22)12-8(2)13(9(3)20)24-14(12)18-11(21)7-19-6-10(16)5-17-19/h5-6H,4,7H2,1-3H3,(H,18,21)
InChIKey AYOGOGSYBMPGDL-UHFFFAOYSA-N
Molecular Weight 461.274 g/mol
SMILES N(c1c(c(c(s1)C(C)=O)C)C(OCC)=O)C(=O)C[n]1ncc(c1)I
SPLASH splash10-0a4i-8590200000-dfbaf23134c6729ec227
Source of Spectrum IY-2-5068-6
Synonyms Ethyl 5-acetyl-2-[2-(4-iodo-1H-pyrazol-1-yl)acetamido]-4-methylthiophene-3-carboxylate 5-Acetyl-2-[[2-(4-iodo-1-pyrazolyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester Ethyl 5-acetyl-2-[[2-(4-iodopyrazol-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Ethyl 5-acetyl-2-[[2-(4-iodopyrazol-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylate Ethyl 5-ethanoyl-2-[2-(4-iodanylpyrazol-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate
Wiley ID 1658669