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2-(nicotinoylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID CKUxALuXKRU
InChI InChI=1S/C18H19N3O3S2/c1-2-24-17(23)14-12-7-3-4-8-13(12)26-16(14)21-18(25)20-15(22)11-6-5-9-19-10-11/h5-6,9-10H,2-4,7-8H2,1H3,(H2,20,21,22,25)
InChIKey MWPPQAKNKTXAHD-UHFFFAOYSA-N
Mol Weight 389.49 g/mol
Molecular Formula C18H19N3O3S2
Exact Mass 389.086784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkqalsYi3ys
Name 2-(nicotinoylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 2-[[[[oxo(3-pyridinyl)methyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-(pyridin-3-ylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-(pyridine-3-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-(pyridine-3-carbonylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-({[(3-pyridinylcarbonyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula C18H19N3O3S2
InChI InChI=1S/C18H19N3O3S2/c1-2-24-17(23)14-12-7-3-4-8-13(12)26-16(14)21-18(25)20-15(22)11-6-5-9-19-10-11/h5-6,9-10H,2-4,7-8H2,1H3,(H2,20,21,22,25)
InChIKey MWPPQAKNKTXAHD-UHFFFAOYSA-N
Molecular Weight 389.488 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(=S)NC(=O)c1cccnc1
SPLASH splash10-004i-9520000000-223ec6e478fa52b41269
Wiley ID 1466782