A1JLP
Summary
| Name: | 1-(3,5-dihydro-2~{H}-1,4-benzothiazepin-4-yl)ethanone |
| Formula: | C11 H13 N O S |
| Formal charge: | 0 |
| Formula weight: | 207.292 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(3,5-dihydro-2~{H}-1,4-benzothiazepin-4-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H13NOS/c1-9(13)12-6-7-14-11-5-3-2-4-10(11)8-12/h2-5H,6-8H2,1H3 |
| InChIKey | InChI | 1.06 | UREQFTSPNGUYSJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCSc2ccccc2C1 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCSc2ccccc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCSc2ccccc2C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCSc2ccccc2C1 |
