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1-Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-(2-methyl-1H-indol-3-yl)-1,2-dioxoethyl]amino]-, ethyl ester

View entire compound with spectra: 1 MS (GC)

1-Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-(2-methyl-1H-indol-3-yl)-1,2-dioxoethyl]amino]-, ethyl ester
SpectraBase Compound ID EE0VZQaCs7K
InChI InChI=1S/C22H22N2O4S/c1-3-28-22(27)18-14-9-5-7-11-16(14)29-21(18)24-20(26)19(25)17-12(2)23-15-10-6-4-8-13(15)17/h4,6,8,10,23H,3,5,7,9,11H2,1-2H3,(H,24,26)
InChIKey QIMKKDWUWXCZEG-UHFFFAOYSA-N
Mol Weight 410.49 g/mol
Molecular Formula C22H22N2O4S
Exact Mass 410.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bkt640kLK5g
Name 1-Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-(2-methyl-1H-indol-3-yl)-1,2-dioxoethyl]amino]-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O4S
InChI InChI=1S/C22H22N2O4S/c1-3-28-22(27)18-14-9-5-7-11-16(14)29-21(18)24-20(26)19(25)17-12(2)23-15-10-6-4-8-13(15)17/h4,6,8,10,23H,3,5,7,9,11H2,1-2H3,(H,24,26)
InChIKey QIMKKDWUWXCZEG-UHFFFAOYSA-N
Molecular Weight 410.488 g/mol
SMILES [nH]1c(c(C(C(Nc2c(c3c(s2)CCCC3)C(OCC)=O)=O)=O)c2ccccc12)C
SPLASH splash10-0a6r-3910000000-e9dddd12912aadfba910
Source of Spectrum IY-1-4585-1
Synonyms 2-[[2-(2-methyl-1H-indol-3-yl)-1,2-dioxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[2-(2-methyl-1H-indol-3-yl)-2-oxo-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-[[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 1653834