6X0
Summary
| Name: | 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide |
| Formula: | C29 H33 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 519.655 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C29H33N3O4S/c1-3-32-26-12-14-37-28(26)15-27(32)29(33)31-25-6-4-5-21(18-34-2)24(25)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | XTIUXFVWQDSKHY-HXUWFJFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1c(cc2sccc12)C(=O)Nc3cccc(COC)c3COc4ccc(OC[C@@H]5CCNC5)cc4 |
| SMILES | CACTVS | 3.385 | CCn1c(cc2sccc12)C(=O)Nc3cccc(COC)c3COc4ccc(OC[CH]5CCNC5)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OC[C@@H]5CCNC5)COC |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OCC5CCNC5)COC |
