1-Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-[[4-methyl-5-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]acetyl]amino]-, ethyl ester

SpectraBase Compound ID	9dA8iarJhFC
InChI	InChI=1S/C20H27N3O3S3/c1-4-26-19(25)17-13-7-5-6-8-15(13)29-18(17)23-16(24)11-28-20-21-12(2)14(22-20)9-10-27-3/h4-11H2,1-3H3,(H,21,22)(H,23,24)
InChIKey	PBUZLHWMDZKZAZ-UHFFFAOYSA-N Google Search
Mol Weight	453.63 g/mol
Molecular Formula	C20H27N3O3S3
Exact Mass	453.121455 g/mol

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SpectraBase Spectrum ID	GmZe45pU6R1
Name	1-Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-[[4-methyl-5-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]acetyl]amino]-, ethyl ester
Alternate Name(s)	2-[[2-[[5-methyl-4-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula	C20H27N3O3S3
InChI	InChI=1S/C20H27N3O3S3/c1-4-26-19(25)17-13-7-5-6-8-15(13)29-18(17)23-16(24)11-28-20-21-12(2)14(22-20)9-10-27-3/h4-11H2,1-3H3,(H,21,22)(H,23,24)
InChIKey	PBUZLHWMDZKZAZ-UHFFFAOYSA-N
Molecular Weight	453.634 g/mol
SMILES	[nH]1c(SCC(=O)Nc2c(c3c(s2)CCCC3)C(OCC)=O)nc(c1CCSC)C
SPLASH	splash10-004i-6980000000-b45ec2bcbc88fe51185e
Source of Spectrum	IY-1-4701-3
Wiley ID	1654996