2FX
Summary
| Name: | 1-benzothiophen-2-ylacetic acid |
| Formula: | C10 H8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 192.234 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 1-benzothiophen-2-ylacetic acid |
| OpenEye OEToolkits | 1.6.1 | 2-(1-benzothiophen-2-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)Cc2sc1ccccc1c2 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)Cc1sc2ccccc2c1 |
| SMILES | CACTVS | 3.352 | OC(=O)Cc1sc2ccccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cc(s2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cc(s2)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H8O2S/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12) |
| InChIKey | InChI | 1.03 | SAAWNQLNUJBOLW-UHFFFAOYSA-N |
