Methyl 3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)amino]thiophene-2-carboxylate
4784
Reference
Methyl 3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)amino]thiophene-2-carboxylate Structure
Systematic / IUPAC Name: Methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-2-thiophenecarboxylate
ID: Reference4784
Other Names: 2-Thiophenecarboxylic acid, 3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)amino]-, methyl ester
Formula: C14H10N2O4S
Spectral Data
Methyl 3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)amino]thiophene-2-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 | 117 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 5/11/2016 10:01:13 AM |
Identificators
| InChI | InChI=1S/C14H10N2O4S/c1-20-14(19)11-10(6-7-21-11)15-16-12(17)8-4-2-3-5-9(8)13(16)18/h2-7,15H,1H3 |
| InChI Key | RRAADMIRPQBKHY-UHFFFAOYSA-N |
| Canonical SMILES | COC(=O)C1=C(C=CS1)NN2C(=O)C3=CC=CC=C3C2=O |
| CAS | |
| Splash | |
| Other Names | 2-Thiophenecarboxylic acid, 3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)amino]-, methyl ester |
In Other Databases
| PubChem | 2808101 |
| ChemSpider | 2086546 |
| ChEMBL | CHEMBL1415417 |