VA1
Summary
| Name: | {5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID |
| Synonyms: | 5-DIFORMYLAMINOMETHYL-BENZO[B]THIOPHEN-2-BORONIC ACID |
| Formula: | C11 H10 B N O4 S |
| Formal charge: | 0 |
| Formula weight: | 263.077 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {5-[(diformylamino)methyl]-1-benzothiophen-2-yl}boronic acid |
| OpenEye OEToolkits | 1.5.0 | [5-[(dimethanoylamino)methyl]-1-benzothiophen-2-yl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CN(C=O)Cc2cc1c(sc(c1)B(O)O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OB(O)c1sc2ccc(CN(C=O)C=O)cc2c1 |
| SMILES | CACTVS | 3.341 | OB(O)c1sc2ccc(CN(C=O)C=O)cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B(c1cc2cc(ccc2s1)CN(C=O)C=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | B(c1cc2cc(ccc2s1)CN(C=O)C=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2 |
| InChIKey | InChI | 1.03 | GVTZPLCQJFQOTQ-UHFFFAOYSA-N |
