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Benzothiophene-3-carboxiic acid, 4,5,6,7-tetrahydro-6-tert-butyl-2-(3-pyridinoylamino)-, methyl ester
SpectraBase Compound ID DbXwATtmbyY
InChI InChI=1S/C20H24N2O3S/c1-20(2,3)13-7-8-14-15(10-13)26-18(16(14)19(24)25-4)22-17(23)12-6-5-9-21-11-12/h5-6,9,11,13H,7-8,10H2,1-4H3,(H,22,23)
InChIKey PCVICAJZBLWMJW-UHFFFAOYSA-N
Mol Weight 372.48 g/mol
Molecular Formula C20H24N2O3S
Exact Mass 372.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xUQlk5ekUb
Name Benzothiophene-3-carboxiic acid, 4,5,6,7-tetrahydro-6-tert-butyl-2-(3-pyridinoylamino)-, methyl ester
Alternate Name(s) 6-tert-Butyl-2-nicotinamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester 6-tert-Butyl-2-[[oxo(3-pyridinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester Methyl 6-tert-butyl-2-(pyridin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Methyl 6-tert-butyl-2-[(3-pyridinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula C20H24N2O3S
InChI InChI=1S/C20H24N2O3S/c1-20(2,3)13-7-8-14-15(10-13)26-18(16(14)19(24)25-4)22-17(23)12-6-5-9-21-11-12/h5-6,9,11,13H,7-8,10H2,1-4H3,(H,22,23)
InChIKey PCVICAJZBLWMJW-UHFFFAOYSA-N
Molecular Weight 372.483 g/mol
SMILES N(C(=O)c1cccnc1)c1sc2CC(CCc2c1C(OC)=O)C(C)(C)C
SPLASH splash10-0a4i-5932000000-242d5276d363d4251e22
Source of Spectrum AD-0-2532-0
Wiley ID 1426651