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

SpectraBase Compound ID	7vHtBZ7DKKn
InChI	InChI=1S/C21H28N4O5S/c1-4-30-21(27)18-15-9-6-5-7-10-16(15)31-20(18)22-17(26)11-8-12-24-14(3)19(25(28)29)13(2)23-24/h4-12H2,1-3H3,(H,22,26)
InChIKey	UHPUIOAUEBDLHE-UHFFFAOYSA-N Google Search
Mol Weight	448.54 g/mol
Molecular Formula	C21H28N4O5S
Exact Mass	448.178041 g/mol

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SpectraBase Spectrum ID	CDONaJQwVHq
Name	4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]amino]-5,6,7,8-tetrahydro-, ethyl ester
Alternate Name(s)	Ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate 2-[[4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Ethyl 2-[4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Ethyl 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H28N4O5S
InChI	InChI=1S/C21H28N4O5S/c1-4-30-21(27)18-15-9-6-5-7-10-16(15)31-20(18)22-17(26)11-8-12-24-14(3)19(25(28)29)13(2)23-24/h4-12H2,1-3H3,(H,22,26)
InChIKey	UHPUIOAUEBDLHE-UHFFFAOYSA-N
Molecular Weight	448.538 g/mol
SMILES	N(c1sc2c(c1C(OCC)=O)CCCCC2)C(=O)CCC[n]1nc(c(c1C)N(=O)=O)C
SPLASH	splash10-03di-2490100000-13bc9a2b6974b1ae86bd
Source of Spectrum	IY-2-5035-9
Wiley ID	1658342