2-({[2-Acetyl-5-(tert-butyl)-3-thienyl]amino}carbonyl)benzoic acid
4470
Reference
2-({[2-Acetyl-5-(tert-butyl)-3-thienyl]amino}carbonyl)benzoic acid Structure
Systematic / IUPAC Name: 2-{[2-Acetyl-5-(2-methyl-2-propanyl)-3-thienyl]carbamoyl}benzoic acid
ID: Reference4470
Other Names: Benzoic acid, 2-({[2-acetyl-5-(1,1-dimethylethyl)-3-thienyl]amino}carbonyl)-
Formula: C18H19NO4S
Spectral Data
2-({[2-Acetyl-5-(tert-butyl)-3-thienyl]amino}carbonyl)benzoic acid 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 | 2 |
| No. of Spectra | 238 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 4/8/2016 9:58:09 AM |
Identificators
| InChI | InChI=1S/C18H19NO4S/c1-10(20)15-13(9-14(24-15)18(2,3)4)19-16(21)11-7-5-6-8-12(11)17(22)23/h5-9H,1-4H3,(H,19,21)(H,22,23) |
| InChI Key | FQRPHLJLYPTTQW-UHFFFAOYSA-N |
| Canonical SMILES | CC(=O)C1=C(C=C(S1)C(C)(C)C)NC(=O)C2=CC=CC=C2C(=O)O |
| CAS | |
| Splash | |
| Other Names | Benzoic acid, 2-({[2-acetyl-5-(1,1-dimethylethyl)-3-thienyl]amino}carbonyl)- |
In Other Databases
| ChEMBL | CHEMBL1162415 |
| ChemSpider | 2086750 |
| PubChem | 2808307 |