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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(4-ethylphenoxy)propanamide

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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(4-ethylphenoxy)propanamide
SpectraBase Compound ID D4hhG53GZAM
InChI InChI=1S/C24H30N2O2S/c1-6-16-7-10-18(11-8-16)28-15(2)22(27)26-23-20(14-25)19-12-9-17(24(3,4)5)13-21(19)29-23/h7-8,10-11,15,17H,6,9,12-13H2,1-5H3,(H,26,27)
InChIKey PKKSFPGCVYGOKM-UHFFFAOYSA-N
Mol Weight 410.58 g/mol
Molecular Formula C24H30N2O2S
Exact Mass 410.202799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BpNDpQlp3Am
Name N-(6-Tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(4-ethylphenoxy)propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.202799386 u
Formula C24H30N2O2S
InChI InChI=1S/C24H30N2O2S/c1-6-16-7-10-18(11-8-16)28-15(2)22(27)26-23-20(14-25)19-12-9-17(24(3,4)5)13-21(19)29-23/h7-8,10-11,15,17H,6,9,12-13H2,1-5H3,(H,26,27)
InChIKey PKKSFPGCVYGOKM-UHFFFAOYSA-N
Molecular Weight 410.576 g/mol
SMILES N(C1=C(C=2CCC(CC2S1)C(C)(C)C)C#N)C(C(OC=1C=CC(=CC1)CC)C)=O