Ethyl 2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4,5-dimethylthiophene-3-carboxylate

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Systematic / IUPAC Name: Ethyl 2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4,5-dimethyl-3-thiophenecarboxylate

ID: Reference5040

Other Names: 3-Thiophenecarboxylic acid, 2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4,5-dimethyl-, ethyl ester

Formula: C15H15N3O4S3

Spectral Data

Ethyl 2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4,5-dimethylthiophene-3-carboxylate 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 2
No. of Spectra 235
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/24/2016 8:48:30 AM
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Identificators

InChI InChI=1S/C15H15N3O4S3/c1-4-22-15(19)12-8(2)9(3)23-14(12)18-25(20,21)11-7-5-6-10-13(11)17-24-16-10/h5-7,18H,4H2,1-3H3
InChI Key XVUDSTPMMKHHMW-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=C(SC(=C1C)C)NS(=O)(=O)C2=CC=CC3=NSN=C32
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Other Names 3-Thiophenecarboxylic acid, 2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4,5-dimethyl-, ethyl ester

In Other Databases

ChemSpider 2099993
PubChem 2821772