WD0
Summary
| Name: | (3aS,6R)-N-(2-methoxyethyl)-2,3,3a,6-tetrahydro-1,3-benzothiazole-6-carboxamide |
| Formula: | C11 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 240.322 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3aS,6R)-N-(2-methoxyethyl)-2,3,3a,6-tetrahydro-1,3-benzothiazole-6-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-methoxyethyl)-2,3,3~{a},6-tetrahydro-1,3-benzothiazole-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COCCNC(=O)C1C=CC2NCSC2=C1 |
| InChI | InChI | 1.06 | InChI=1S/C11H16N2O2S/c1-15-5-4-12-11(14)8-2-3-9-10(6-8)16-7-13-9/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,12,14)/t8-,9+/m1/s1 |
| InChIKey | InChI | 1.06 | BQJVJHSWHVKPQG-BDAKNGLRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCNC(=O)[C@@H]1C=C[C@@H]2NCSC2=C1 |
| SMILES | CACTVS | 3.385 | COCCNC(=O)[CH]1C=C[CH]2NCSC2=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCNC(=O)C1C=CC2C(=C1)SCN2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCCNC(=O)C1C=CC2C(=C1)SCN2 |
