| SpectraBase Spectrum ID |
KpTWkIDcZrR |
| Name |
3-Chlorobenzo[B]thiophene-2-carbothioic acid, S-ester with 2-mercapto-2',6'-acetoxylidide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.031098805 u |
| Formula |
C19H16ClNO2S2 |
| InChI |
InChI=1S/C19H16ClNO2S2/c1-11-6-5-7-12(2)17(11)21-15(22)10-24-19(23)18-16(20)13-8-3-4-9-14(13)25-18/h3-9H,10H2,1-2H3,(H,21,22) |
| InChIKey |
DWPJIYMYPPIBDP-UHFFFAOYSA-N |
| Molecular Weight |
389.915 g/mol |
| SMILES |
N(C(CSC(C=1SC=2C=CC=CC2C1Cl)=O)=O)C=1C(=CC=CC1C)C |
![3-chlorobenzo[b]thiophene-2-carbothioic acid, S-ester with 2-mercapto-2',6'-acetoxylidide](/api/spectrum/KpTWkIDcZrR/structure.png?h=300&w=458 "3-chlorobenzo[b]thiophene-2-carbothioic acid, S-ester with 2-mercapto-2',6'-acetoxylidide")
