A1CDM
Summary
| Name: | 2,3-dihydro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Formula: | C7 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 169.201 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2,3-dihydro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| OpenEye OEToolkits | 3.1.0.0 | 2,3-dihydro-1,2-benzothiazole 1,1-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S1(=O)NCc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C7H7NO2S/c9-11(10)7-4-2-1-3-6(7)5-8-11/h1-4,8H,5H2 |
| InChIKey | InChI | 1.06 | GVYVHZKTSVDMNT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S]1(=O)NCc2ccccc12 |
| SMILES | CACTVS | 3.385 | O=[S]1(=O)NCc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)CNS2(=O)=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)CNS2(=O)=O |
