| SpectraBase Spectrum ID |
JuXgp69GJuW |
| Name |
(3Z)-8-methyl-6-(phenylthio)-5,6-dihydro-2H-1,8-benzothiazecin-7-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H19NOS2 |
| InChI |
InChI=1S/C19H19NOS2/c1-20-16-11-5-6-12-17(16)22-14-8-7-13-18(19(20)21)23-15-9-3-2-4-10-15/h2-12,18H,13-14H2,1H3/b8-7- |
| InChIKey |
BLPIPSYHJUJJJV-FPLPWBNLSA-N |
| Molecular Weight |
341.487 g/mol |
| SMILES |
C1(N(c2c(SC\C=C/CC1Sc1ccccc1)cccc2)C)=O |
| SPLASH |
splash10-001i-0090000000-be4286414f469ad6f685 |
| Source of Spectrum |
KC-0-314-14 |
| Synonyms |
(3Z)-8-methyl-6-phenylsulfanyl-5,6-dihydro-2H-1,8-benzothiazecin-7-one |
| Wiley ID |
787298 |
