| SpectraBase Spectrum ID |
18SbVlQaGoz |
| Name |
3-Thiophenecarboxylic acid, 2-[[2-[(1,3-benzodioxol-5-ylmethyl)amino]-1,2-dioxoethyl]amino]-4,5-dimethyl-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.088557476 u |
| Formula |
C18H18N2O6S |
| InChI |
InChI=1S/C18H18N2O6S/c1-9-10(2)27-17(14(9)18(23)24-3)20-16(22)15(21)19-7-11-4-5-12-13(6-11)26-8-25-12/h4-6H,7-8H2,1-3H3,(H,19,21)(H,20,22) |
| InChIKey |
VAIHEVVWZYTKIN-UHFFFAOYSA-N |
| Molecular Weight |
390.410 g/mol |
| SMILES |
N(C1=C(C(C)=C(S1)C)C(=O)OC)C(C(NCC1=CC=2OCOC2C=C1)=O)=O |
![3-Thiophenecarboxylic acid, 2-[[2-[(1,3-benzodioxol-5-ylmethyl)amino]-1,2-dioxoethyl]amino]-4,5-dimethyl-, methyl ester](/api/spectrum/18SbVlQaGoz/structure.png?h=300&w=458 "3-Thiophenecarboxylic acid, 2-[[2-[(1,3-benzodioxol-5-ylmethyl)amino]-1,2-dioxoethyl]amino]-4,5-dimethyl-, methyl ester")
