| SpectraBase Spectrum ID |
4e8CZMPKGl3 |
| Name |
4-{[4-(4-Fluorophenyl)-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.057671887 u |
| Formula |
C16H14FNO5S |
| InChI |
InChI=1S/C16H14FNO5S/c1-23-16(22)14-11(9-2-4-10(17)5-3-9)8-24-15(14)18-12(19)6-7-13(20)21/h2-5,8H,6-7H2,1H3,(H,18,19)(H,20,21) |
| InChIKey |
ZYIVTQZIAGECKQ-UHFFFAOYSA-N |
| Molecular Weight |
351.348 g/mol |
| SMILES |
N(C1=C(C(=CS1)C1=CC=C(C=C1)F)C(=O)OC)C(CCC(=O)O)=O |
![4-{[4-(4-Fluorophenyl)-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid](/api/spectrum/4e8CZMPKGl3/structure.png?h=300&w=458 "4-{[4-(4-Fluorophenyl)-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid")
