| SpectraBase Spectrum ID |
33qzUmk9jrW |
| Name |
4-[3-(3-Nitrophenyl)-7-oxo-5-sulfanylidene-3,7A-dihydro-1H-imidazo[1,5-C]thiazol-6-yl]benzoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.060963002 u |
| Formula |
C20H17N3O5S2 |
| InChI |
InChI=1S/C20H17N3O5S2/c1-2-28-19(25)12-6-8-14(9-7-12)21-17(24)16-11-30-18(22(16)20(21)29)13-4-3-5-15(10-13)23(26)27/h3-10,16,18H,2,11H2,1H3 |
| InChIKey |
IUNJKFPSVOMUDO-UHFFFAOYSA-N |
| Molecular Weight |
443.492 g/mol |
| SMILES |
CCOC(C1=CC=C(N2C(N3C(C2=O)CSC3C=2C=C(N(=O)=O)C=CC2)=S)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882518 |
![4-[3-(3-nitrophenyl)-7-oxo-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c]thiazol-6-yl]benzoic acid ethyl ester](/api/spectrum/33qzUmk9jrW/structure.png?h=300&w=458 "4-[3-(3-nitrophenyl)-7-oxo-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c]thiazol-6-yl]benzoic acid ethyl ester")
