| SpectraBase Spectrum ID |
5puNlvBlLOw |
| Name |
3-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.160994142 u |
| Formula |
C21H27NO5S |
| InChI |
InChI=1S/C21H27NO5S/c1-10(2)27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-8-12(9-11)16(15)20(24)25/h10-12,15-16H,3-9H2,1-2H3,(H,22,23)(H,24,25)/t11-,12+,15-,16-/m1/s1 |
| InChIKey |
RLSOPXMBRGJTNT-NOXHYTERSA-N |
| Molecular Weight |
405.509 g/mol |
| SMILES |
N(C([C@]1([C@](C(=O)O)([C@@]2(C[C@]1(CC2)[H])[H])[H])[H])=O)C1=C(C(OC(C)C)=O)C2=C(CCCC2)S1 |
![3-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid](/api/spectrum/5puNlvBlLOw/structure.png?h=300&w=458 "3-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid")
