4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-(4-nitro-1H-pyrazol-1-yl)acetyl]amino]-, methyl ester

SpectraBase Compound ID	LeblZP0M6tP
InChI	InChI=1S/C16H18N4O5S/c1-25-16(22)14-11-5-3-2-4-6-12(11)26-15(14)18-13(21)9-19-8-10(7-17-19)20(23)24/h7-8H,2-6,9H2,1H3,(H,18,21)
InChIKey	YFALPXAGCFLCCK-UHFFFAOYSA-N Google Search
Mol Weight	378.4 g/mol
Molecular Formula	C16H18N4O5S
Exact Mass	378.099791 g/mol

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SpectraBase Spectrum ID	8wc9imbiUOP
Name	4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-(4-nitro-1H-pyrazol-1-yl)acetyl]amino]-, methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H18N4O5S
InChI	InChI=1S/C16H18N4O5S/c1-25-16(22)14-11-5-3-2-4-6-12(11)26-15(14)18-13(21)9-19-8-10(7-17-19)20(23)24/h7-8H,2-6,9H2,1H3,(H,18,21)
InChIKey	YFALPXAGCFLCCK-UHFFFAOYSA-N
Molecular Weight	378.403 g/mol
SMILES	N(c1c(c2CCCCCc2s1)C(=O)OC)C(C[n]1cc(N(=O)=O)cn1)=O
SPLASH	splash10-0ufu-9510000000-803695a5725d591cc122
Source of Spectrum	IY-1-4514-8
Synonyms	2-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Methyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Methyl 2-[2-(4-nitropyrazol-1-yl)ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Wiley ID	1653131