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1-Benzothiophene-3-carboxylic acid, 2-[[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Benzothiophene-3-carboxylic acid, 2-[[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID 83Ay3NteTce
InChI InChI=1S/C24H22Cl2N2O5S/c1-2-31-24(30)21-17-5-3-4-6-19(17)34-23(21)28-20(29)13-32-15-7-9-16(10-8-15)33-22-18(26)11-14(25)12-27-22/h7-12H,2-6,13H2,1H3,(H,28,29)
InChIKey BQJTYSOEWFROHE-UHFFFAOYSA-N
Mol Weight 521.42 g/mol
Molecular Formula C24H22Cl2N2O5S
Exact Mass 520.062648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2kZaTUOwUf4
Name 1-Benzothiophene-3-carboxylic acid, 2-[[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.062648385 u
Formula C24H22Cl2N2O5S
InChI InChI=1S/C24H22Cl2N2O5S/c1-2-31-24(30)21-17-5-3-4-6-19(17)34-23(21)28-20(29)13-32-15-7-9-16(10-8-15)33-22-18(26)11-14(25)12-27-22/h7-12H,2-6,13H2,1H3,(H,28,29)
InChIKey BQJTYSOEWFROHE-UHFFFAOYSA-N
Molecular Weight 521.415 g/mol
SMILES CCOC(C1=C(SC2=C1CCCC2)NC(COC1=CC=C(OC2=NC=C(C=C2Cl)Cl)C=C1)=O)=O