1F8
Summary
| Name: | 2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide |
| Formula: | C12 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 235.302 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide |
| OpenEye OEToolkits | 1.7.0 | 2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1c2ccccc2oc1C)NCCS |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1oc2ccccc2c1C(=O)NCCS |
| SMILES | CACTVS | 3.370 | Cc1oc2ccccc2c1C(=O)NCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(c2ccccc2o1)C(=O)NCCS |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(c2ccccc2o1)C(=O)NCCS |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO2S/c1-8-11(12(14)13-6-7-16)9-4-2-3-5-10(9)15-8/h2-5,16H,6-7H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | MMIVKJYKVVAJCP-UHFFFAOYSA-N |
