| SpectraBase Spectrum ID |
9lNXPHj3I0g |
| Name |
Propanoic acid, 2-[[4-(3-hydroxy-3-methyl-1-butynyl)benzoyl]amino]-3-[(phenylmethyl)thio]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.134779395 u |
| Formula |
C22H23NO4S |
| InChI |
InChI=1S/C22H23NO4S/c1-22(2,27)13-12-16-8-10-18(11-9-16)20(24)23-19(21(25)26)15-28-14-17-6-4-3-5-7-17/h3-11,19,27H,14-15H2,1-2H3,(H,23,24)(H,25,26) |
| InChIKey |
DDVADGNCURMPKL-UHFFFAOYSA-N |
| Molecular Weight |
397.489 g/mol |
| SMILES |
C(NC(C(=O)O)CSCC1=CC=CC=C1)(C1=CC=C(C#CC(O)(C)C)C=C1)=O |
![Propanoic acid, 2-[[4-(3-hydroxy-3-methyl-1-butynyl)benzoyl]amino]-3-[(phenylmethyl)thio]-](/api/spectrum/9lNXPHj3I0g/structure.png?h=300&w=458 "Propanoic acid, 2-[[4-(3-hydroxy-3-methyl-1-butynyl)benzoyl]amino]-3-[(phenylmethyl)thio]-")
