A1DO0
Summary
| Name: | ethyl (3-carbamoylthiophen-2-yl)carbamate |
| Formula: | C8 H10 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 214.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | ethyl (3-carbamoylthiophen-2-yl)carbamate |
| OpenEye OEToolkits | 3.1.0.0 | ethyl ~{N}-(3-aminocarbonylthiophen-2-yl)carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(N)c1ccsc1NC(=O)OCC |
| InChI | InChI | 1.06 | InChI=1S/C8H10N2O3S/c1-2-13-8(12)10-7-5(6(9)11)3-4-14-7/h3-4H,2H2,1H3,(H2,9,11)(H,10,12) |
| InChIKey | InChI | 1.06 | MCJVWBGUXGJDCO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)Nc1sccc1C(N)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)Nc1sccc1C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)Nc1c(ccs1)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)Nc1c(ccs1)C(=O)N |
