A1JID
Summary
| Name: | ~{tert}-butyl 2-[(2-sulfanylphenyl)carbonylamino]ethanoate |
| Formula: | C13 H17 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 267.344 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{tert}-butyl 2-[(2-sulfanylphenyl)carbonylamino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H17NO3S/c1-13(2,3)17-11(15)8-14-12(16)9-6-4-5-7-10(9)18/h4-7,18H,8H2,1-3H3,(H,14,16) |
| InChIKey | InChI | 1.06 | JERLKWRTQCNRHR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)CNC(=O)c1ccccc1S |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)CNC(=O)c1ccccc1S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)CNC(=O)c1ccccc1S |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)CNC(=O)c1ccccc1S |
