| SpectraBase Spectrum ID |
H8PmSN7BGi1 |
| Name |
(2Z)-2-(3-benzyl-1,3-thiazinan-2-ylidene)-2-cyano-acetic acid isobutyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22N2O2S |
| InChI |
InChI=1S/C18H22N2O2S/c1-14(2)13-22-18(21)16(11-19)17-20(9-6-10-23-17)12-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-10,12-13H2,1-2H3/b17-16- |
| InChIKey |
RYYMBTYRURKADU-MSUUIHNZSA-N |
| Molecular Weight |
330.446 g/mol |
| SMILES |
C(\C(=C\1N(Cc2ccccc2)CCCS1)C#N)(OCC(C)C)=O |
| SPLASH |
splash10-000x-9007000000-dea2f18b8af203e4d99f |
| Source of Spectrum |
Y-34-1622-3 |
| Synonyms |
(2Z)-2-cyano-2-[3-(phenylmethyl)-1,3-thiazinan-2-ylidene]acetic acid 2-methylpropyl ester
2-methylpropyl (2Z)-2-(3-benzyl-1,3-thiazinan-2-ylidene)-2-cyanoacetate
2-methylpropyl (2Z)-2-cyano-2-[3-(phenylmethyl)-1,3-thiazinan-2-ylidene]ethanoate
isobutyl (2Z)-2-(3-benzyl-1,3-thiazinan-2-ylidene)-2-cyano-acetate |
| Wiley ID |
1327830 |
![ISOBUTYL-[2-(3-BENZYL-TETRAHYDRO-(2H)-1,3-THIAZIN-2-YLIDENE)-CYANOACETATE]](/api/spectrum/H8PmSN7BGi1/structure.png?h=300&w=458 "ISOBUTYL-[2-(3-BENZYL-TETRAHYDRO-(2H)-1,3-THIAZIN-2-YLIDENE)-CYANOACETATE]")
