5YT
Summary
| Name: | 2-azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid |
| Formula: | C8 H10 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 198.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H10N2O2S/c1-2-3-4-5-6(7(11)12)10-8(9)13-5/h2H,1,3-4H2,(H2,9,10)(H,11,12) |
| InChIKey | InChI | 1.06 | SVKPUZITXRBIOK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc(CCC=C)c(n1)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1sc(CCC=C)c(n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CCCc1c(nc(s1)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CCCc1c(nc(s1)N)C(=O)O |
