| SpectraBase Spectrum ID |
5g52GnLAGge |
| Name |
2-({[3-(butoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.176644207 u |
| Formula |
C21H29NO5S |
| InChI |
InChI=1S/C21H29NO5S/c1-2-3-12-27-21(26)17-15-10-6-7-11-16(15)28-19(17)22-18(23)13-8-4-5-9-14(13)20(24)25/h13-14H,2-12H2,1H3,(H,22,23)(H,24,25) |
| InChIKey |
WVBDMEVHCIXOOZ-UHFFFAOYSA-N |
| Molecular Weight |
407.525 g/mol |
| SMILES |
N(C1=C(C2=C(CCCC2)S1)C(=O)OCCCC)C(C1C(C(=O)O)CCCC1)=O |
![2-({[3-(butoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid](/api/spectrum/5g52GnLAGge/structure.png?h=300&w=458 "2-({[3-(butoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid")
