| SpectraBase Spectrum ID |
KM6mZ2B7IYN |
| Name |
7-(4-Isopropylphenyl)-6A,7-dihydro-6H-[1]benzothiopyrano[3,4-C][1,5]benzothiazepine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.127192093 u |
| Formula |
C25H23NS2 |
| InChI |
InChI=1S/C25H23NS2/c1-16(2)17-11-13-18(14-12-17)25-20-15-27-22-9-5-3-7-19(22)24(20)26-21-8-4-6-10-23(21)28-25/h3-14,16,20,25H,15H2,1-2H3 |
| InChIKey |
JQRNLGRFOHHLOH-UHFFFAOYSA-N |
| Molecular Weight |
401.586 g/mol |
| SMILES |
C1=2C=3C(C(C4=CC=C(C=C4)C(C)C)SC4=CC=CC=C4N3)CSC2C=CC=C1 |
![7-(4-Isopropylphenyl)-6A,7-dihydro-6H-[1]benzothiopyrano[3,4-C][1,5]benzothiazepine](/api/spectrum/KM6mZ2B7IYN/structure.png?h=300&w=458 "7-(4-Isopropylphenyl)-6A,7-dihydro-6H-[1]benzothiopyrano[3,4-C][1,5]benzothiazepine")
