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Ethyl 2-(3-benzoylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
SpectraBase Compound ID plR1kmE75R
InChI InChI=1S/C19H20N2O3S2/c1-2-24-18(23)15-13-10-6-7-11-14(13)26-17(15)21-19(25)20-16(22)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,20,21,22,25)
InChIKey NYYMFKPBLSKASM-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C19H20N2O3S2
Exact Mass 388.091535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IA8EFz4HAgE
Name Ethyl 2-(3-benzoylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
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Formula C19H20N2O3S2
InChI InChI=1S/C19H20N2O3S2/c1-2-24-18(23)15-13-10-6-7-11-14(13)26-17(15)21-19(25)20-16(22)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,20,21,22,25)
InChIKey NYYMFKPBLSKASM-UHFFFAOYSA-N
Molecular Weight 388.500 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(NC(=O)c1ccccc1)=S
SPLASH splash10-08fr-0901000000-bab57c50ac87a0fe28c0
Source of Spectrum Y-50-769-9a
Synonyms 2-[[benzamido(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-(benzoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-(benzoylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-(phenylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 1736718