Ethyl 2-({[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]carbonyl}amino)-4,5-dimethylthiophene-3-carboxylate

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Systematic / IUPAC Name: Ethyl 2-({[4-(isopropylsulfonyl)-5-(methylsulfanyl)-2-thienyl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate

ID: Reference4325

Other Names: 3-Thiophenecarboxylic acid, 4,5-dimethyl-2-[({4-[(1-methylethyl)sulfonyl]-5-(methylthio)-2-thienyl}carbonyl)amino]-, ethyl ester

Formula: C18H23NO5S4

Spectral Data

Ethyl 2-({[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]carbonyl}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 252
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/22/2016 6:36:18 AM
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Identificators

InChI InChI=1S/C18H23NO5S4/c1-7-24-17(21)14-10(4)11(5)26-16(14)19-15(20)12-8-13(18(25-6)27-12)28(22,23)9(2)3/h8-9H,7H2,1-6H3,(H,19,20)
InChI Key IBQMALNJMURWSV-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=C(S2)SC)S(=O)(=O)C(C)C
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Other Names 3-Thiophenecarboxylic acid, 4,5-dimethyl-2-[({4-[(1-methylethyl)sulfonyl]-5-(methylthio)-2-thienyl}carbonyl)amino]-, ethyl ester

In Other Databases

PubChem 2820765
ChemSpider 2098994