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Ethyl 4,5,6,7-tetrahydro-2-[(phenacyl)thiocarbonyl]aminobenzo[b]thiophene-3-carboxylate
SpectraBase Compound ID K3iKAny0Y6M
InChI InChI=1S/C20H21NO3S2/c1-2-24-20(23)18-14-10-6-7-11-16(14)26-19(18)21-17(25)12-15(22)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,21,25)
InChIKey ISXVWNRRMKOISJ-UHFFFAOYSA-N
Mol Weight 387.51 g/mol
Molecular Formula C20H21NO3S2
Exact Mass 387.096286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3sQXNOCKg4
Name Ethyl 4,5,6,7-tetrahydro-2-[(phenacyl)thiocarbonyl]aminobenzo[b]thiophene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3S2
InChI InChI=1S/C20H21NO3S2/c1-2-24-20(23)18-14-10-6-7-11-16(14)26-19(18)21-17(25)12-15(22)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,21,25)
InChIKey ISXVWNRRMKOISJ-UHFFFAOYSA-N
Molecular Weight 387.512 g/mol
SMILES N(c1c(c2c(s1)CCCC2)C(=O)OCC)C(=S)CC(=O)c1ccccc1
SPLASH splash10-004i-0797000000-14247db9f955a64863c7
Source of Spectrum U-1995-447-4
Synonyms Ethyl 2-[(3-oxo-3-phenylpropanethioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 766658