5I6
Summary
| Name: | 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid |
| Formula: | C15 H16 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 304.364 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H16N2O3S/c1-2-3-8-20-11-6-4-10(5-7-11)9-12-13(14(18)19)17-15(16)21-12/h2,4-7H,1,3,8-9H2,(H2,16,17)(H,18,19) |
| InChIKey | InChI | 1.06 | ALYKRFVTKKHDOO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc(Cc2ccc(OCCC=C)cc2)c(n1)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1sc(Cc2ccc(OCCC=C)cc2)c(n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CCCOc1ccc(cc1)Cc2c(nc(s2)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CCCOc1ccc(cc1)Cc2c(nc(s2)N)C(=O)O |
