Ethyl 2-({2-cyano-3-[(ethoxycarbonyl)amino]-3-oxoprop-1-enyl}amino)-4,5-dimethylthiophene-3-carboxylate

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Systematic / IUPAC Name: Ethyl 2-({(1E)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propen-1-yl}amino)-4,5-dimethyl-3-thiophenecarboxylate

ID: Reference4852

Other Names: 3-Thiophenecarboxylic acid, 2-({(1E)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propen-1-yl}amino)-4,5-dimethyl-, ethyl ester

Formula: C16H19N3O5S

Spectral Data

Ethyl 2-({2-cyano-3-[(ethoxycarbonyl)amino]-3-oxoprop-1-enyl}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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/13/2016 10:45:34 AM
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Identificators

InChI InChI=1S/C16H19N3O5S/c1-5-23-15(21)12-9(3)10(4)25-14(12)18-8-11(7-17)13(20)19-16(22)24-6-2/h8,18H,5-6H2,1-4H3,(H,19,20,22)/b11-8+
InChI Key OSSKXLNPUYLPQG-DHZHZOJOSA-N
Canonical SMILES CCOC(=O)C1=C(SC(=C1C)C)NC=C(C#N)C(=O)NC(=O)OCC
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Other Names 3-Thiophenecarboxylic acid, 2-({(1E)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propen-1-yl}amino)-4,5-dimethyl-, ethyl ester

In Other Databases

ChemSpider 2100755
PubChem 2822539