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Benzo[B]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[3-[[(4-methylphenyl)sulfonyl]amino]-2-naphthalenyl]carbonyl]amino]-, ethyl ester

View entire compound with spectra: 2 NMR

Benzo[B]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[3-[[(4-methylphenyl)sulfonyl]amino]-2-naphthalenyl]carbonyl]amino]-, ethyl ester
SpectraBase Compound ID E8FQNFWGa38
InChI InChI=1S/C29H28N2O5S2/c1-3-36-29(33)26-22-10-6-7-11-25(22)37-28(26)30-27(32)23-16-19-8-4-5-9-20(19)17-24(23)31-38(34,35)21-14-12-18(2)13-15-21/h4-5,8-9,12-17,31H,3,6-7,10-11H2,1-2H3,(H,30,32)
InChIKey RHDQZTZWLDTQMW-UHFFFAOYSA-N
Mol Weight 548.67 g/mol
Molecular Formula C29H28N2O5S2
Exact Mass 548.143964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DeIr3nyqJ7s
Name Benzo[B]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[3-[[(4-methylphenyl)sulfonyl]amino]-2-naphthalenyl]carbonyl]amino]-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.143964353 u
Formula C29H28N2O5S2
InChI InChI=1S/C29H28N2O5S2/c1-3-36-29(33)26-22-10-6-7-11-25(22)37-28(26)30-27(32)23-16-19-8-4-5-9-20(19)17-24(23)31-38(34,35)21-14-12-18(2)13-15-21/h4-5,8-9,12-17,31H,3,6-7,10-11H2,1-2H3,(H,30,32)
InChIKey RHDQZTZWLDTQMW-UHFFFAOYSA-N
Molecular Weight 548.672 g/mol
SMILES N(C(C1=C(C=C2C(=C1)C=CC=C2)NS(C1=CC=C(C=C1)C)(=O)=O)=O)C1=C(C=2CCCCC2S1)C(=O)OCC