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Methyl 2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 4 NMR

Methyl 2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 1YLUOPWVZdh
InChI InChI=1S/C15H15NO3S2/c1-19-15(18)12-9-5-2-3-6-10(9)21-14(12)16-13(17)11-7-4-8-20-11/h4,7-8H,2-3,5-6H2,1H3,(H,16,17)
InChIKey XBBLOJXIFRIULG-UHFFFAOYSA-N
Mol Weight 321.41 g/mol
Molecular Formula C15H15NO3S2
Exact Mass 321.049336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L2rrsw2gHU2
Name Methyl 2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 321.049335692 u
Formula C15H15NO3S2
InChI InChI=1S/C15H15NO3S2/c1-19-15(18)12-9-5-2-3-6-10(9)21-14(12)16-13(17)11-7-4-8-20-11/h4,7-8H,2-3,5-6H2,1H3,(H,16,17)
InChIKey XBBLOJXIFRIULG-UHFFFAOYSA-N
Molecular Weight 321.409 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OC)C(C=1SC=CC1)=O