| SpectraBase Spectrum ID |
3cUXQrPEp9Z |
| Name |
6-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.103813619 u |
| Formula |
C21H18N2O3S |
| InChI |
InChI=1S/C21H18N2O3S/c24-19(15-5-1-2-6-16(15)21(25)26)22-14-11-9-13(10-12-14)20-23-17-7-3-4-8-18(17)27-20/h1-4,7-12,15-16H,5-6H2,(H,22,24)(H,25,26) |
| InChIKey |
VMSDSBBNXNQGRD-UHFFFAOYSA-N |
| Molecular Weight |
378.446 g/mol |
| SMILES |
C1(=NC=2C=CC=CC2S1)C=1C=CC(NC(C2C(C(=O)O)CC=CC2)=O)=CC1 |
![6-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid](/api/spectrum/3cUXQrPEp9Z/structure.png?h=300&w=458 "6-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid")
