2-Methyl-4-[(4-methyl-3-thienyl)amino]-4-oxobut-2-enoic acid

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Systematic / IUPAC Name: (E)-2-Methyl-4-[(4-methylthiophen-3-yl)amino]-4-oxobut-2-enoic acid

ID: Reference8682

Other Names: 2-Butenoic acid, 2-methyl-4-[(4-methyl-3-thienyl)amino]-4-oxo-, (2E)-;
(E)-4-Keto-2-methyl-4-[(4-methyl-3-thienyl)amino]but-2-enoic acid

Formula: C10H11NO3S

Spectral Data

2-Methyl-4-[(4-methyl-3-thienyl)amino]-4-oxobut-2-enoic acid 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 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/8/2019 8:30:53 AM
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Identificators

InChI InChI=1S/C10H11NO3S/c1-6(10(13)14)3-9(12)11-8-5-15-4-7(8)2/h3-5H,1-2H3,(H,11,12)(H,13,14)/b6-3+
InChI Key TZVWKLHESIYNQZ-ZZXKWVIFSA-N
Canonical SMILES CC1=CSC=C1NC(=O)C=C(C)C(=O)O
CAS
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Other Names 2-Butenoic acid, 2-methyl-4-[(4-methyl-3-thienyl)amino]-4-oxo-, (2E)-;
(E)-4-Keto-2-methyl-4-[(4-methyl-3-thienyl)amino]but-2-enoic acid

In Other Databases

PubChem 5714421
ChemSpider 4651877
ChEMBL CHEMBL1594870