| SpectraBase Spectrum ID |
Bwfu6Un7ZDh |
| Name |
2-{[2-(4-Dimethylamino-phenyl)-3-hydroxy-4-oxo-azetidin-1-ylamino]-methyl}-5H-benzo[b][1,4]thiazepin-4-one |
| Alternate Name(s) |
2-[({2-[4-(dimethylamino)phenyl]-3-hydroxy-4-oxo-1-azetidinyl}amino)methyl]-1,5-benzothiazepin-4(5H)-one
2-[4'-Oxo-2'-(4-N,N-Dimethylamino)phenylthiazolidinyl]iminomethyl-1,5-oxazepin-4(5H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22N4O3S |
| InChI |
InChI=1S/C21H22N4O3S/c1-24(2)14-9-7-13(8-10-14)19-20(27)21(28)25(19)22-12-15-11-18(26)23-16-5-3-4-6-17(16)29-15/h3-11,19-20,22,27H,12H2,1-2H3,(H,23,26) |
| InChIKey |
MDQRINPACZSLRP-UHFFFAOYSA-N |
| Molecular Weight |
410.492 g/mol |
| SMILES |
OC1C(N(C1c1ccc(cc1)N(C)C)NCC1=CC(Nc2c(S1)cccc2)=O)=O |
| SPLASH |
splash10-000i-0970000000-0f2467e06ad38ab429d1 |
| Source of Spectrum |
Y1-42-1153-5 |
| Wiley ID |
1565214 |
![2-{[2-(4-Dimethylamino-phenyl)-3-hydroxy-4-oxo-azetidin-1-ylamino]-methyl}-5H-benzo[b][1,4]thiazepin-4-one](/api/spectrum/Bwfu6Un7ZDh/structure.png?h=300&w=458 "2-{[2-(4-Dimethylamino-phenyl)-3-hydroxy-4-oxo-azetidin-1-ylamino]-methyl}-5H-benzo[b][1,4]thiazepin-4-one")
