56E
Summary
| Name: | ethyl N-[(5-methylthiophen-3-yl)carbonyl]glycinate |
| Formula: | C10 H13 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 227.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl N-[(5-methylthiophen-3-yl)carbonyl]glycinate |
| OpenEye OEToolkits | 1.9.2 | ethyl 2-[(5-methylthiophen-3-yl)carbonylamino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1csc(c1)C)(=O)NCC(=O)OCC |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO3S/c1-3-14-9(12)5-11-10(13)8-4-7(2)15-6-8/h4,6H,3,5H2,1-2H3,(H,11,13) |
| InChIKey | InChI | 1.03 | PMDIXZXNNWYFNT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CNC(=O)c1csc(C)c1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)CNC(=O)c1csc(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCOC(=O)CNC(=O)c1cc(sc1)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCOC(=O)CNC(=O)c1cc(sc1)C |
