| SpectraBase Spectrum ID |
7QvM36JJPES |
| Name |
Acetic acid, [[2-[(6-methyl-2-benzothiazolyl)amino]-2-oxoethyl]thio]-, 2-oxo-2-phenylethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.070799412 u |
| Formula |
C20H18N2O4S2 |
| InChI |
InChI=1S/C20H18N2O4S2/c1-13-7-8-15-17(9-13)28-20(21-15)22-18(24)11-27-12-19(25)26-10-16(23)14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,21,22,24) |
| InChIKey |
OBXJBYRBSPQDSP-UHFFFAOYSA-N |
| Molecular Weight |
414.494 g/mol |
| SMILES |
N(C1=NC=2C=CC(=CC2S1)C)C(=O)CSCC(OCC(=O)C1=CC=CC=C1)=O |
![Acetic acid, [[2-[(6-methyl-2-benzothiazolyl)amino]-2-oxoethyl]thio]-, 2-oxo-2-phenylethyl ester](/api/spectrum/7QvM36JJPES/structure.png?h=300&w=458 "Acetic acid, [[2-[(6-methyl-2-benzothiazolyl)amino]-2-oxoethyl]thio]-, 2-oxo-2-phenylethyl ester")
