3-({[4-(Methoxycarbonyl)-3-thienyl]amino}carbonyl)-2-pyrazinecarboxylic acid

enlarge

Systematic / IUPAC Name: 3-{[4-(Methoxycarbonyl)-3-thienyl]carbamoyl}-2-pyrazinecarboxylic acid

ID: Reference4445

Other Names: 2-Pyrazinecarboxylic acid, 3-({[4-(methoxycarbonyl)-3-thienyl]amino}carbonyl)-

Formula: C12H9N3O5S

Spectral Data

3-({[4-(Methoxycarbonyl)-3-thienyl]amino}carbonyl)-2-pyrazinecarboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

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 4/7/2016 9:11:00 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H9N3O5S/c1-20-12(19)6-4-21-5-7(6)15-10(16)8-9(11(17)18)14-3-2-13-8/h2-5H,1H3,(H,15,16)(H,17,18)
InChI Key WPYZSRJUWLANHA-UHFFFAOYSA-N
Canonical SMILES COC(=O)C1=CSC=C1NC(=O)C2=NC=CN=C2C(=O)O
CAS
Splash
Other Names 2-Pyrazinecarboxylic acid, 3-({[4-(methoxycarbonyl)-3-thienyl]amino}carbonyl)-

In Other Databases

PubChem 2811394
ChemSpider 2089806