JA5
Summary
| Name: | methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate |
| Formula: | C9 H9 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 211.238 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO3S/c1-13-9(12)7-3-5-2-6(4-11)14-8(5)10-7/h2-3,10-11H,4H2,1H3 |
| InChIKey | InChI | 1.03 | FJDCCIDVLHNLOW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1[nH]c2sc(CO)cc2c1 |
| SMILES | CACTVS | 3.385 | COC(=O)c1[nH]c2sc(CO)cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cc2cc(sc2[nH]1)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cc2cc(sc2[nH]1)CO |
