| SpectraBase Spectrum ID |
JcYXl0dtwfh |
| Name |
Isopropyl 2-[(2-pyrazinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.114712655 u |
| Formula |
C17H19N3O3S |
| InChI |
InChI=1S/C17H19N3O3S/c1-10(2)23-17(22)14-11-5-3-4-6-13(11)24-16(14)20-15(21)12-9-18-7-8-19-12/h7-10H,3-6H2,1-2H3,(H,20,21) |
| InChIKey |
CAYFZRZDKLTXGO-UHFFFAOYSA-N |
| Molecular Weight |
345.417 g/mol |
| SMILES |
N(C1=C(C(OC(C)C)=O)C2=C(CCCC2)S1)C(C1=NC=CN=C1)=O |
![Isopropyl 2-[(2-pyrazinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/JcYXl0dtwfh/structure.png?h=300&w=458 "Isopropyl 2-[(2-pyrazinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
