4R3
Summary
| Name: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid |
| Formula: | C14 H9 Cl2 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 386.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H9Cl2N3O4S/c1-4-9(15)10(16)11(17-4)12(21)19-14-18-6-3-7(20)5(13(22)23)2-8(6)24-14/h2-3,17,20H,1H3,(H,22,23)(H,18,19,21) |
| InChIKey | InChI | 1.03 | SEAMOYQPPFJZJR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(C(=O)Nc2sc3cc(C(O)=O)c(O)cc3n2)c(Cl)c1Cl |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(C(=O)Nc2sc3cc(C(O)=O)c(O)cc3n2)c(Cl)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c([nH]1)C(=O)Nc2nc3cc(c(cc3s2)C(=O)O)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c([nH]1)C(=O)Nc2nc3cc(c(cc3s2)C(=O)O)O)Cl)Cl |
