A1JF3
Summary
| Name: | ~{N}-[(2~{S})-2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)propyl]-5-methyl-furan-2-carboxamide |
| Formula: | C16 H20 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 304.407 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)propyl]-5-methyl-furan-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H20N2O2S/c1-11(9-17-16(19)14-4-3-12(2)20-14)18-7-5-15-13(10-18)6-8-21-15/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,17,19)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | XOVXAOJJTXHVTL-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CNC(=O)c1oc(C)cc1)N2CCc3sccc3C2 |
| SMILES | CACTVS | 3.385 | C[CH](CNC(=O)c1oc(C)cc1)N2CCc3sccc3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)C(=O)NC[C@H](C)N2CCc3c(ccs3)C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)C(=O)NCC(C)N2CCc3c(ccs3)C2 |
