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Methyl 4,5,6,7-tetrahydro-2-[(phenacyl)thiocarbonyl]aminobenzo[b]thiophene-3-carboxylate
SpectraBase Compound ID DB0CISMu9MQ
InChI InChI=1S/C19H19NO3S2/c1-23-19(22)17-13-9-5-6-10-15(13)25-18(17)20-16(24)11-14(21)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,20,24)
InChIKey WPIJXOIZBSHYFK-UHFFFAOYSA-N
Mol Weight 373.49 g/mol
Molecular Formula C19H19NO3S2
Exact Mass 373.080636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWlS3Ue3Ko8
Name Methyl 4,5,6,7-tetrahydro-2-[(phenacyl)thiocarbonyl]aminobenzo[b]thiophene-3-carboxylate
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Formula C19H19NO3S2
InChI InChI=1S/C19H19NO3S2/c1-23-19(22)17-13-9-5-6-10-15(13)25-18(17)20-16(24)11-14(21)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,20,24)
InChIKey WPIJXOIZBSHYFK-UHFFFAOYSA-N
Molecular Weight 373.485 g/mol
SMILES N(c1c(c2c(s1)CCCC2)C(=O)OC)C(=S)CC(=O)c1ccccc1
SPLASH splash10-03fr-0695000000-7436e1fec04fe569205d
Source of Spectrum U-1995-447-4
Synonyms Methyl 2-[(3-oxo-3-phenylpropanethioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 766660