WMQ
Summary
| Name: | 2-{[(1H-indol-7-yl)oxy]methyl}-1,3-thiazole-4-carboxylic acid |
| Formula: | C13 H10 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 274.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[(1H-indol-7-yl)oxy]methyl}-1,3-thiazole-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(1~{H}-indol-7-yloxymethyl)-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1csc(COc2cccc3cc[NH]c23)n1 |
| InChI | InChI | 1.06 | InChI=1S/C13H10N2O3S/c16-13(17)9-7-19-11(15-9)6-18-10-3-1-2-8-4-5-14-12(8)10/h1-5,7,14H,6H2,(H,16,17) |
| InChIKey | InChI | 1.06 | VCFUHAJTOVWERD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1csc(COc2cccc3cc[nH]c23)n1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1csc(COc2cccc3cc[nH]c23)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cc[nH]c2c(c1)OCc3nc(cs3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cc[nH]c2c(c1)OCc3nc(cs3)C(=O)O |
