Methyl 3-{[(6-chloro-2H-chromen-3-yl)carbonyl]amino}-4-methylthiophene-2-carboxylate
4385
Reference
Methyl 3-{[(6-chloro-2H-chromen-3-yl)carbonyl]amino}-4-methylthiophene-2-carboxylate Structure
Systematic / IUPAC Name: Methyl 3-{[(6-chloro-2H-chromen-3-yl)carbonyl]amino}-4-methyl-2-thiophenecarboxylate
ID: Reference4385
Other Names: 2-Thiophenecarboxylic acid, 3-{[(6-chloro-2H-1-benzopyran-3-yl)carbonyl]amino}-4-methyl-, methyl ester
Formula: C17H14ClNO4S
Spectral Data
Methyl 3-{[(6-chloro-2H-chromen-3-yl)carbonyl]amino}-4-methylthiophene-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 | 44 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/31/2016 6:35:00 AM |
Identificators
| InChI | InChI=1S/C17H14ClNO4S/c1-9-8-24-15(17(21)22-2)14(9)19-16(20)11-5-10-6-12(18)3-4-13(10)23-7-11/h3-6,8H,7H2,1-2H3,(H,19,20) |
| InChI Key | ZPZYXHLBIDVMBL-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CSC(=C1NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2)C(=O)OC |
| CAS | |
| Splash | |
| Other Names | 2-Thiophenecarboxylic acid, 3-{[(6-chloro-2H-1-benzopyran-3-yl)carbonyl]amino}-4-methyl-, methyl ester |