| SpectraBase Spectrum ID |
9CrzVVPWh8M |
| Name |
3-Thiophenecarboxylic acid, 2-[[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino]-4-(4-methylphenyl)-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.150429459 u |
| Formula |
C23H25NO4S |
| InChI |
InChI=1S/C23H25NO4S/c1-5-28-22(27)20-17(15-8-6-14(2)7-9-15)13-29-21(20)24-12-16-18(25)10-23(3,4)11-19(16)26/h6-9,12-13,24H,5,10-11H2,1-4H3 |
| InChIKey |
VUEJUDWYIINXQJ-UHFFFAOYSA-N |
| Molecular Weight |
411.516 g/mol |
| SMILES |
N(C1=C(C(=CS1)C=1C=CC(=CC1)C)C(=O)OCC)C=C1C(CC(CC1=O)(C)C)=O |
![3-Thiophenecarboxylic acid, 2-[[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino]-4-(4-methylphenyl)-, ethyl ester](/api/spectrum/9CrzVVPWh8M/structure.png?h=300&w=458 "3-Thiophenecarboxylic acid, 2-[[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino]-4-(4-methylphenyl)-, ethyl ester")
