| SpectraBase Spectrum ID |
KlDSuV0cvN9 |
| Name |
3-(2-Benzo[1,3]dioxol-5-yl-2,3-dihydro-benzo[b][1,4]thiazepin-4-yl)-4-hydroxy-6-methyl-pyran-2-one |
| Alternate Name(s) |
3-[2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-hydroxy-6-methyl-2H-pyran-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H17NO5S |
| InChI |
InChI=1S/C22H17NO5S/c1-12-8-16(24)21(22(25)28-12)15-10-20(29-19-5-3-2-4-14(19)23-15)13-6-7-17-18(9-13)27-11-26-17/h2-9,20,24H,10-11H2,1H3 |
| InChIKey |
OZGALNWXNJTTKM-UHFFFAOYSA-N |
| Molecular Weight |
407.440 g/mol |
| SMILES |
OC1=C(C(OC(=C1)C)=O)C=1CC(Sc2c(N1)cccc2)c1ccc2c(c1)OCO2 |
| SPLASH |
splash10-0002-4910000000-2e44eb5603edf7732adc |
| Wiley ID |
1438429 |
![3-(2-Benzo[1,3]dioxol-5-yl-2,3-dihydro-benzo[b][1,4]thiazepin-4-yl)-4-hydroxy-6-methyl-pyran-2-one](/api/spectrum/KlDSuV0cvN9/structure.png?h=300&w=458 "3-(2-Benzo[1,3]dioxol-5-yl-2,3-dihydro-benzo[b][1,4]thiazepin-4-yl)-4-hydroxy-6-methyl-pyran-2-one")
