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Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-phenylthioacetylamino-, ethyl ester
SpectraBase Compound ID LUln6JNmPm8
InChI InChI=1S/C19H21NO3S2/c1-2-23-19(22)17-14-10-6-7-11-15(14)25-18(17)20-16(21)12-24-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,20,21)
InChIKey GGKSXYJKVWZCHB-UHFFFAOYSA-N
Mol Weight 375.5 g/mol
Molecular Formula C19H21NO3S2
Exact Mass 375.096286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38Gepvr1GTF
Name Ethyl 2-([(phenylsulfanyl)acetyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS Registry Number 309286-73-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO3S2
InChI InChI=1S/C19H21NO3S2/c1-2-23-19(22)17-14-10-6-7-11-15(14)25-18(17)20-16(21)12-24-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,20,21)
InChIKey GGKSXYJKVWZCHB-UHFFFAOYSA-N
Molecular Weight 375.501 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(=O)CSc1ccccc1
SPLASH splash10-004i-6942000000-b65b4cddb022a967a977
Source of Spectrum AD-0-2532-0
Synonyms 2-[[1-oxo-2-(phenylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester 2-[[2-(phenylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-phenylthioacetylamino-, ethyl ester Ethyl 2-(2-phenylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
Wiley ID 1431005