JN7
Summary
| Name: | 3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate |
| Formula: | C22 H24 N2 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 460.566 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate |
| OpenEye OEToolkits | 1.7.2 | O3-cyclopentyl O6-ethenyl 2-(2-thiophen-2-ylethanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O\C=C)N2Cc1sc(c(c1CC2)C(=O)OC3CCCC3)NC(=O)Cc4sccc4 |
| InChI | InChI | 1.03 | InChI=1S/C22H24N2O5S2/c1-2-28-22(27)24-10-9-16-17(13-24)31-20(23-18(25)12-15-8-5-11-30-15)19(16)21(26)29-14-6-3-4-7-14/h2,5,8,11,14H,1,3-4,6-7,9-10,12-13H2,(H,23,25) |
| InChIKey | InChI | 1.03 | RIZICIJVRFSMJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C=COC(=O)N1CCc2c(C1)sc(NC(=O)Cc3sccc3)c2C(=O)OC4CCCC4 |
| SMILES | CACTVS | 3.370 | C=COC(=O)N1CCc2c(C1)sc(NC(=O)Cc3sccc3)c2C(=O)OC4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C=COC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1 |
| SMILES | OpenEye OEToolkits | 1.7.2 | C=COC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1 |
