QAB
Summary
| Name: | 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
| Formula: | C9 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 197.254 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
| OpenEye OEToolkits | 1.7.2 | 2-azanyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1c2c(sc1N)CCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO2S/c10-8-7(9(11)12)5-3-1-2-4-6(5)13-8/h1-4,10H2,(H,11,12) |
| InChIKey | InChI | 1.03 | WYOLDVOOOYZSJM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1sc2CCCCc2c1C(O)=O |
| SMILES | CACTVS | 3.370 | Nc1sc2CCCCc2c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1CCc2c(c(c(s2)N)C(=O)O)C1 |
| SMILES | OpenEye OEToolkits | 1.7.2 | C1CCc2c(c(c(s2)N)C(=O)O)C1 |
