| SpectraBase Spectrum ID |
4mGK5qifFa9 |
| Name |
Ethyl 2-[(3-{[(4-chlorophenyl)sulfonyl]amino}propanoyl)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 |
470.073691892 u |
| Formula |
C20H23ClN2O5S2 |
| InChI |
InChI=1S/C20H23ClN2O5S2/c1-2-28-20(25)18-15-5-3-4-6-16(15)29-19(18)23-17(24)11-12-22-30(26,27)14-9-7-13(21)8-10-14/h7-10,22H,2-6,11-12H2,1H3,(H,23,24) |
| InChIKey |
XIJPMPPKVVQKHE-UHFFFAOYSA-N |
| Molecular Weight |
470.986 g/mol |
| SMILES |
N(C1=C(C=2CCCCC2S1)C(=O)OCC)C(CCNS(C1=CC=C(C=C1)Cl)(=O)=O)=O |
![Ethyl 2-[(3-{[(4-chlorophenyl)sulfonyl]amino}propanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/4mGK5qifFa9/structure.png?h=300&w=458 "Ethyl 2-[(3-{[(4-chlorophenyl)sulfonyl]amino}propanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
