013
Summary
Name: | 1,3-thiazol-5-ylmethyl hydrogen carbonate |
Formula: | C5 H5 N O3 S |
Formal charge: | 0 |
Formula weight: | 159.163 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1,3-thiazol-5-ylmethyl hydrogen carbonate |
OpenEye OEToolkits | 1.7.0 | 1,3-thiazol-5-ylmethyl hydrogen carbonate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)OCc1scnc1 |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)OCc1scnc1 |
SMILES | CACTVS | 3.370 | OC(=O)OCc1scnc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(scn1)COC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1c(scn1)COC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C5H5NO3S/c7-5(8)9-2-4-1-6-3-10-4/h1,3H,2H2,(H,7,8) |
InChIKey | InChI | 1.03 | KMTXKJAMNZYVII-UHFFFAOYSA-N |