| SpectraBase Spectrum ID |
DvhHzBNn4ZB |
| Name |
2-Thiophenecarboxylic acid, 3-[[1,2-dioxo-2-[(2-pyridinylmethyl)amino]ethyl]amino]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.062677081 u |
| Formula |
C14H13N3O4S |
| InChI |
InChI=1S/C14H13N3O4S/c1-21-14(20)11-10(5-7-22-11)17-13(19)12(18)16-8-9-4-2-3-6-15-9/h2-7H,8H2,1H3,(H,16,18)(H,17,19) |
| InChIKey |
XMDQUNWGRQLSRR-UHFFFAOYSA-N |
| SMILES |
N(C(C(NCC=1N=CC=CC1)=O)=O)C1=C(C(=O)OC)SC=C1 |
![2-Thiophenecarboxylic acid, 3-[[1,2-dioxo-2-[(2-pyridinylmethyl)amino]ethyl]amino]-, methyl ester](/api/spectrum/DvhHzBNn4ZB/structure.png?h=300&w=458 "2-Thiophenecarboxylic acid, 3-[[1,2-dioxo-2-[(2-pyridinylmethyl)amino]ethyl]amino]-, methyl ester")
