MH5
Summary
| Name: | 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid |
| Formula: | C13 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 247.313 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO2S/c1-9-5-6-12(17-9)8-14-11-4-2-3-10(7-11)13(15)16/h2-7,14H,8H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | PMNTXRWWXFDZFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(CNc2cccc(c2)C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | Cc1sc(CNc2cccc(c2)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(s1)CNc2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(s1)CNc2cccc(c2)C(=O)O |
