| SpectraBase Spectrum ID |
69SDU0ucFPu |
| Name |
Methyl 5-[(4-chloroanilino)carbonyl]-4-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-thiophenecarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.049585143 u |
| Formula |
C24H17ClN2O6S |
| InChI |
InChI=1S/C24H17ClN2O6S/c1-12-18(24(31)32-2)22(34-19(12)21(29)26-15-9-7-14(25)8-10-15)27-20(28)16-11-13-5-3-4-6-17(13)33-23(16)30/h3-11H,1-2H3,(H,26,29)(H,27,28) |
| InChIKey |
OPKKTFZDUKBZKB-UHFFFAOYSA-N |
| Molecular Weight |
496.921 g/mol |
| SMILES |
N(C(C1=C(C(=C(S1)NC(C=1C(OC=2C(C1)=CC=CC2)=O)=O)C(=O)OC)C)=O)C=1C=CC(=CC1)Cl |
![methyl 5-[(4-chloroanilino)carbonyl]-4-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-thiophenecarboxylate](/api/spectrum/69SDU0ucFPu/structure.png?h=300&w=458 "methyl 5-[(4-chloroanilino)carbonyl]-4-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-thiophenecarboxylate")
