6G9
Summary
| Name: | 2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid |
| Formula: | C14 H8 Br2 N4 O4 S |
| Formal charge: | 0 |
| Formula weight: | 488.111 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H8Br2N4O4S/c15-6-4-8(18-10(6)16)11(21)20-14-19-7-2-1-5(3-9(7)25-14)17-12(22)13(23)24/h1-4,18H,(H,17,22)(H,23,24)(H,19,20,21) |
| InChIKey | InChI | 1.03 | ZDVZBRWEKLWNNU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(=O)Nc1ccc2nc(NC(=O)c3[nH]c(Br)c(Br)c3)sc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)C(=O)Nc1ccc2nc(NC(=O)c3[nH]c(Br)c(Br)c3)sc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc1NC(=O)C(=O)O)sc(n2)NC(=O)c3cc(c([nH]3)Br)Br |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc1NC(=O)C(=O)O)sc(n2)NC(=O)c3cc(c([nH]3)Br)Br |
