6X5
Summary
| Name: | ~{N}-[3-(ethoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-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 | ~{N}-[3-(ethoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C29H33N3O4S/c1-3-34-18-21-5-4-6-25(31-29(33)27-15-28-26(32(27)2)12-14-37-28)24(21)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 | SQSNNQXVJVEDMY-HXUWFJFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc4ccc(OC[C@@H]5CCNC5)cc4 |
| SMILES | CACTVS | 3.385 | CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc4ccc(OC[CH]5CCNC5)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCOCc1cccc(c1COc2ccc(cc2)OC[C@@H]3CCNC3)NC(=O)c4cc5c(n4C)ccs5 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCOCc1cccc(c1COc2ccc(cc2)OCC3CCNC3)NC(=O)c4cc5c(n4C)ccs5 |
