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2-[2-(2-isopropyl-5-methyl-phenoxy)-propionylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID EyZsquWossN
InChI InChI=1S/C24H31NO4S/c1-6-28-24(27)21-18-9-7-8-10-20(18)30-23(21)25-22(26)16(5)29-19-13-15(4)11-12-17(19)14(2)3/h11-14,16H,6-10H2,1-5H3,(H,25,26)
InChIKey ODHBWTUOTQPOQY-UHFFFAOYSA-N
Mol Weight 429.58 g/mol
Molecular Formula C24H31NO4S
Exact Mass 429.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzP5JdQxxP7
Name 2-[2-(2-isopropyl-5-methyl-phenoxy)-propionylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 2-{[2-(2-isopropyl-5-methylphenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO4S
InChI InChI=1S/C24H31NO4S/c1-6-28-24(27)21-18-9-7-8-10-20(18)30-23(21)25-22(26)16(5)29-19-13-15(4)11-12-17(19)14(2)3/h11-14,16H,6-10H2,1-5H3,(H,25,26)
InChIKey ODHBWTUOTQPOQY-UHFFFAOYSA-N
Molecular Weight 429.575 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(C(Oc1c(ccc(c1)C)C(C)C)C)=O
SPLASH splash10-0a6r-4970000000-39c792f21bb631a560d1
Wiley ID 1447215