SpectraBase Spectrum ID |
7p0TeU0c2xP |
Name |
3-[7-(2,4-Dimethoxy-phenyl)-2,3,6,7-tetrahydro-[1,4]thiazepin-5-yl]-4-hydroxy-6-methyl-pyran-2-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C19H21NO5S |
InChI |
InChI=1S/C19H21NO5S/c1-11-8-15(21)18(19(22)25-11)14-10-17(26-7-6-20-14)13-5-4-12(23-2)9-16(13)24-3/h4-5,8-9,17,21H,6-7,10H2,1-3H3 |
InChIKey |
NHFIAAAMCYVRIW-UHFFFAOYSA-N |
Molecular Weight |
375.439 g/mol |
SMILES |
OC1=C(C(OC(=C1)C)=O)C=1CC(SCCN1)c1c(cc(cc1)OC)OC |
SPLASH |
splash10-0udi-3911000000-b25615879982dfce6280 |
Synonyms |
3-[7-(2,4-Dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methyl-2H-pyran-2-one |
Wiley ID |
1438570 |