E78
Summary
| Name: | ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide |
| Formula: | C20 H23 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 369.481 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H23N3O2S/c1-10-7-15(18-11(2)21-20(26-18)22-13(4)24)8-16-9-23(19(25)17(10)16)12(3)14-5-6-14/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22,24)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | CNCRCDLWUGCPSJ-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](C1CC1)N2Cc3cc(cc(C)c3C2=O)c4sc(NC(C)=O)nc4C |
| SMILES | CACTVS | 3.385 | C[CH](C1CC1)N2Cc3cc(cc(C)c3C2=O)c4sc(NC(C)=O)nc4C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4c(nc(s4)NC(=O)C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc2c1C(=O)N(C2)C(C)C3CC3)c4c(nc(s4)NC(=O)C)C |
