| SpectraBase Spectrum ID |
ToMN4E7dW9 |
| Name |
Benzoic acid, 4-[[1-oxo-4-[(5E)-4-oxo-5-(2-thienylmethylene)-2-thioxothiazolidinyl]butyl]amino]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.027220521 u |
| Formula |
C19H16N2O4S3 |
| InChI |
InChI=1S/C19H16N2O4S3/c22-16(20-13-7-5-12(6-8-13)18(24)25)4-1-9-21-17(23)15(28-19(21)26)11-14-3-2-10-27-14/h2-3,5-8,10-11H,1,4,9H2,(H,20,22)(H,24,25)/b15-11+ |
| InChIKey |
IJMKESOCHONJBW-RVDMUPIBSA-N |
| Molecular Weight |
432.527 g/mol |
| SMILES |
N(C(CCCN1C(S\C(C1=O)=C/C=1SC=CC1)=S)=O)C=1C=CC(C(=O)O)=CC1 |
![benzoic acid, 4-[[1-oxo-4-[(5E)-4-oxo-5-(2-thienylmethylene)-2-thioxothiazolidinyl]butyl]amino]-](/api/spectrum/ToMN4E7dW9/structure.png?h=300&w=458 "benzoic acid, 4-[[1-oxo-4-[(5E)-4-oxo-5-(2-thienylmethylene)-2-thioxothiazolidinyl]butyl]amino]-")
