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ethyl 2-({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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ethyl 2-({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 7M0dmsW6Jnq
InChI InChI=1S/C17H18F3N3O3S/c1-3-26-16(25)13-9-6-4-5-7-11(9)27-15(13)21-14(24)10-8-12(17(18,19)20)22-23(10)2/h8H,3-7H2,1-2H3,(H,21,24)
InChIKey CGZDZTSWTCIGII-UHFFFAOYSA-N
Mol Weight 401.4 g/mol
Molecular Formula C17H18F3N3O3S
Exact Mass 401.102097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DH1RNVrt3C0
Name Ethyl 2-({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.102097112 u
Formula C17H18F3N3O3S
InChI InChI=1S/C17H18F3N3O3S/c1-3-26-16(25)13-9-6-4-5-7-11(9)27-15(13)21-14(24)10-8-12(17(18,19)20)22-23(10)2/h8H,3-7H2,1-2H3,(H,21,24)
InChIKey CGZDZTSWTCIGII-UHFFFAOYSA-N
Molecular Weight 401.404 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OCC)C(C1=CC(C(F)(F)F)=NN1C)=O