5LA
Summary
| Name: | 2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid |
| Formula: | C7 H4 Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 201.63 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H4ClNO2S/c8-5-2-3-1-4(7(10)11)9-6(3)12-5/h1-2,9H,(H,10,11) |
| InChIKey | InChI | 1.03 | SOGNHUJSAKAIRG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]c2sc(Cl)cc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1[nH]c2sc(Cl)cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1c2cc(sc2[nH]c1C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1c2cc(sc2[nH]c1C(=O)O)Cl |
