A1CLW
Summary
| Name: | (1R,2R)-2-(1,3-benzothiazol-6-yl)cyclopentane-1-carboxylic acid |
| Formula: | C13 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 247.313 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1R,2R)-2-(1,3-benzothiazol-6-yl)cyclopentane-1-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | (1~{R},2~{R})-2-(1,3-benzothiazol-6-yl)cyclopentane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C1CCCC1c1ccc2ncsc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C13H13NO2S/c15-13(16)10-3-1-2-9(10)8-4-5-11-12(6-8)17-7-14-11/h4-7,9-10H,1-3H2,(H,15,16)/t9-,10+/m0/s1 |
| InChIKey | InChI | 1.06 | UQINUOHQWWOSCD-VHSXEESVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCC[C@H]1c2ccc3ncsc3c2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCC[CH]1c2ccc3ncsc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1[C@@H]3CCC[C@H]3C(=O)O)scn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1C3CCCC3C(=O)O)scn2 |
