SYY
Summary
| Name: | methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate |
| Formula: | C12 H11 N O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 281.351 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate |
| OpenEye OEToolkits | 1.7.0 | methyl 3-(2-thiophen-2-ylethanoylamino)thiophene-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1c(scc1)C(=O)OC)Cc2sccc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)c1sccc1NC(=O)Cc2sccc2 |
| SMILES | CACTVS | 3.370 | COC(=O)c1sccc1NC(=O)Cc2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COC(=O)c1c(ccs1)NC(=O)Cc2cccs2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | COC(=O)c1c(ccs1)NC(=O)Cc2cccs2 |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | CXOCENPNQSXLGZ-UHFFFAOYSA-N |
