benzo[b]thiophene-2-carboxylic acid, 4-[(2-methylpropyl)thio]-6-nitro-3-(1H-pyrrol-1-yl)-, ethyl ester

SpectraBase Compound ID	CxXGXPnqIJI
InChI	InChI=1S/C19H20N2O4S2/c1-4-25-19(22)18-17(20-7-5-6-8-20)16-14(26-11-12(2)3)9-13(21(23)24)10-15(16)27-18/h5-10,12H,4,11H2,1-3H3
InChIKey	YWAFPJAHTUOQMN-UHFFFAOYSA-N Google Search
Mol Weight	404.5 g/mol
Molecular Formula	C19H20N2O4S2
Exact Mass	404.086449 g/mol

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SpectraBase Spectrum ID	BT2S6DcUbrA
Name	4-(2-Methylpropylthio)-6-nitro-3-(1-pyrrolyl)-1-benzothiophene-2-carboxylic acid ethyl ester
Alternate Name(s)	4-(isobutylthio)-6-nitro-3-pyrrol-1-yl-benzothiophene-2-carboxylic acid ethyl ester Ethyl 4-(2-methylpropylsulfanyl)-6-nitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate Ethyl 4-isobutylsulfanyl-6-nitro-3-pyrrol-1-yl-benzothiophene-2-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H20N2O4S2
InChI	InChI=1S/C19H20N2O4S2/c1-4-25-19(22)18-17(20-7-5-6-8-20)16-14(26-11-12(2)3)9-13(21(23)24)10-15(16)27-18/h5-10,12H,4,11H2,1-3H3
InChIKey	YWAFPJAHTUOQMN-UHFFFAOYSA-N
Molecular Weight	404.499 g/mol
SMILES	c1(c(c2c(cc(N(=O)=O)cc2s1)SCC(C)C)-[n]1cccc1)C(=O)OCC
SPLASH	splash10-0udj-4369100000-d822ae02e3e30e3f94eb
Wiley ID	1462828