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N-(2-methoxyphenyl)-2-[(4-propylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SpectraBase Compound ID 1YkkuDGU4Sb
InChI InChI=1S/C25H26N2O3S/c1-3-7-16-12-14-17(15-13-16)23(28)27-25-22(18-8-6-11-21(18)31-25)24(29)26-19-9-4-5-10-20(19)30-2/h4-5,9-10,12-15H,3,6-8,11H2,1-2H3,(H,26,29)(H,27,28)
InChIKey HQWWGPBNVYAHCJ-UHFFFAOYSA-N
Mol Weight 434.55 g/mol
Molecular Formula C25H26N2O3S
Exact Mass 434.166414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jetjl6udCiV
Name N-(2-Methoxyphenyl)-2-[(4-propylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.166413876 u
Formula C25H26N2O3S
InChI InChI=1S/C25H26N2O3S/c1-3-7-16-12-14-17(15-13-16)23(28)27-25-22(18-8-6-11-21(18)31-25)24(29)26-19-9-4-5-10-20(19)30-2/h4-5,9-10,12-15H,3,6-8,11H2,1-2H3,(H,26,29)(H,27,28)
InChIKey HQWWGPBNVYAHCJ-UHFFFAOYSA-N
Molecular Weight 434.554 g/mol
SMILES N(C1=C(C(NC2=C(OC)C=CC=C2)=O)C2=C(S1)CCC2)C(C1=CC=C(C=C1)CCC)=O