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Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(2,3,4,5-tetraacetoxypentanoylamino)-, ethyl ester
SpectraBase Compound ID 6oC4kw6Xk4l
InChI InChI=1S/C24H31NO11S/c1-6-32-24(31)19-16-9-7-8-10-18(16)37-23(19)25-22(30)21(36-15(5)29)20(35-14(4)28)17(34-13(3)27)11-33-12(2)26/h17,20-21H,6-11H2,1-5H3,(H,25,30)
InChIKey VBXTZRIJUOTCTN-UHFFFAOYSA-N
Mol Weight 541.57 g/mol
Molecular Formula C24H31NO11S
Exact Mass 541.161782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwY6S4AufgN
Name Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(2,3,4,5-tetraacetoxypentanoylamino)-, ethyl ester
CAS Registry Number 318466-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO11S
InChI InChI=1S/C24H31NO11S/c1-6-32-24(31)19-16-9-7-8-10-18(16)37-23(19)25-22(30)21(36-15(5)29)20(35-14(4)28)17(34-13(3)27)11-33-12(2)26/h17,20-21H,6-11H2,1-5H3,(H,25,30)
InChIKey VBXTZRIJUOTCTN-UHFFFAOYSA-N
Molecular Weight 541.568 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(C(C(C(OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)=O
SPLASH splash10-002f-9570020000-6261d92655df64d3de53
Source of Spectrum AD-0-2532-0
Synonyms 2-(2,3,4,5-tetraacetoxypentanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester 2-[(2,3,4,5-tetraacetyloxy-1-oxopentyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-(2,3,4,5-tetraacetoxypentanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-(2,3,4,5-tetraacetyloxypentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 1431363