CI-959

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Systematic / IUPAC Name: 3-Isopropoxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

ID: Reference2800

Other Names: 5-Methoxy-3-(propan-2-yloxy)-N-(1H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide;
Benzo[b]thiophene-2-carboxamide,5-methoxy-3-(1-methylethoxy)-N-2H-tetrazol-5-yl-

Formula: C14H15N5O3S

Spectral Data

CI-959 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/12/2015 11:43:56 AM
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Identificators

InChI InChI=1S/C14H15N5O3S/c1-7(2)22-11-9-6-8(21-3)4-5-10(9)23-12(11)13(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20)
InChI Key TVVXHFWWAYXBNC-UHFFFAOYSA-N
Canonical SMILES CC(C)OC1=C(SC2=C1C=C(C=C2)OC)C(=O)NC3=NNN=N3
CAS 104795688
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Other Names 5-Methoxy-3-(propan-2-yloxy)-N-(1H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide;
Benzo[b]thiophene-2-carboxamide,5-methoxy-3-(1-methylethoxy)-N-2H-tetrazol-5-yl-

In Other Databases

PubChem 159289
ChemIDPlus 104795688
ChemSpider 140096