Methyl 4-{2-cyano-2-[(4-methylphenyl)sulfonyl]vinyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
Methyl 4-{2-cyano-2-[(4-methylphenyl)sulfonyl]vinyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate Structure
Systematic / IUPAC Name: Methyl 4-{(E)-2-cyano-2-[(4-methylphenyl)sulfonyl]vinyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
ID: Reference8607
Other Names:
1H-Pyrrole-3-carboxylic acid, 4-[(E)-2-cyano-2-[(4-methylphenyl)sulfonyl]ethenyl]-2,5-dimethyl-, methyl ester;
Methyl 4-[(1E)-2-cyano-2-[(4-methylbenzene)sulfonyl]eth-1-en-1-yl]-2,5-dimethyl-1H-pyrrole-3-carboxylate;
Methyl 4-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Formula: C18H18N2O4S
Spectral Data
Methyl 4-{2-cyano-2-[(4-methylphenyl)sulfonyl]vinyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 | 3/5/2019 1:51:38 PM |
Identificators
| InChI | InChI=1S/C18H18N2O4S/c1-11-5-7-14(8-6-11)25(22,23)15(10-19)9-16-12(2)20-13(3)17(16)18(21)24-4/h5-9,20H,1-4H3/b15-9+ |
| InChI Key | FUWFYOBIXNVJAA-OQLLNIDSSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(NC(=C2C(=O)OC)C)C)C#N |
| CAS | |
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| Other Names |
1H-Pyrrole-3-carboxylic acid, 4-[(E)-2-cyano-2-[(4-methylphenyl)sulfonyl]ethenyl]-2,5-dimethyl-, methyl ester; Methyl 4-[(1E)-2-cyano-2-[(4-methylbenzene)sulfonyl]eth-1-en-1-yl]-2,5-dimethyl-1H-pyrrole-3-carboxylate; Methyl 4-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate |