W6H
Summary
| Name: | methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate |
| Formula: | C11 H13 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 239.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[methyl-[(~{E})-3-thiophen-3-ylprop-2-enoyl]amino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(/C=C/c1ccsc1)N(C)CC(=O)OC |
| InChI | InChI | 1.06 | InChI=1S/C11H13NO3S/c1-12(7-11(14)15-2)10(13)4-3-9-5-6-16-8-9/h3-6,8H,7H2,1-2H3/b4-3+ |
| InChIKey | InChI | 1.06 | XQYMSCAMMFMULA-ONEGZZNKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CN(C)C(=O)/C=C/c1cscc1 |
| SMILES | CACTVS | 3.385 | COC(=O)CN(C)C(=O)C=Cc1cscc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CC(=O)OC)C(=O)/C=C/c1ccsc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CC(=O)OC)C(=O)C=Cc1ccsc1 |
