| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N(C(=O)Cc1cccs1)c2cc(cc(c2)C(=O)O)B(O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H12BNO5S/c16-12(7-11-2-1-3-21-11)15-10-5-8(13(17)18)4-9(6-10)14(19)20/h1-6,19-20H,7H2,(H,15,16)(H,17,18) |
| InChIKey | InChI | 1.03 | CFVZHOLBBPQSIQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1cc(NC(=O)Cc2sccc2)cc(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | OB(O)c1cc(NC(=O)Cc2sccc2)cc(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1cc(cc(c1)NC(=O)Cc2cccs2)C(=O)O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(c1cc(cc(c1)NC(=O)Cc2cccs2)C(=O)O)(O)O |
