| SpectraBase Spectrum ID |
3VRqCCKyWJL |
| Name |
Isopropyl 2-({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}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 |
504.127441544 u |
| Formula |
C28H25ClN2O3S |
| InChI |
InChI=1S/C28H25ClN2O3S/c1-16(2)34-28(33)25-20-8-4-6-10-24(20)35-27(25)31-26(32)21-15-23(17-11-13-18(29)14-12-17)30-22-9-5-3-7-19(21)22/h3,5,7,9,11-16H,4,6,8,10H2,1-2H3,(H,31,32) |
| InChIKey |
NQURXJBEHVGEGP-UHFFFAOYSA-N |
| Molecular Weight |
505.032 g/mol |
| SMILES |
N(C1=C(C(OC(C)C)=O)C2=C(CCCC2)S1)C(C=1C=C(C=2C=CC(=CC2)Cl)N=C2C1C=CC=C2)=O |
![Isopropyl 2-({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/3VRqCCKyWJL/structure.png?h=300&w=458 "Isopropyl 2-({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
