2-(2,6-Dimethylanilino)-2-oxoethyl 3-chlorobenzo[b]thiophene-2-carbothioate
5015
Reference
2-(2,6-Dimethylanilino)-2-oxoethyl 3-chlorobenzo[b]thiophene-2-carbothioate Structure
Systematic / IUPAC Name: S-{2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl} 3-chloro-1-benzothiophene-2-carbothioate
ID: Reference5015
Other Names: Benzo[b]thiophene-2-carbothioic acid, 3-chloro-, S-{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl} ester
Formula: C19H16ClNO2S2
Spectral Data
2-(2,6-Dimethylanilino)-2-oxoethyl 3-chlorobenzo[b]thiophene-2-carbothioate 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 | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 6/20/2016 11:57:43 AM |
Identificators
| InChI | InChI=1S/C19H16ClNO2S2/c1-11-6-5-7-12(2)17(11)21-15(22)10-24-19(23)18-16(20)13-8-3-4-9-14(13)25-18/h3-9H,10H2,1-2H3,(H,21,22) |
| InChI Key | DWPJIYMYPPIBDP-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C(=CC=C1)C)NC(=O)CSC(=O)C2=C(C3=CC=CC=C3S2)Cl |
| CAS | |
| Splash | |
| Other Names | Benzo[b]thiophene-2-carbothioic acid, 3-chloro-, S-{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl} ester |
In Other Databases
| PubChem | 2797531 |
| ChemSpider | 2076337 |
| ChEMBL | CHEMBL1373472 |