A1ECA
Summary
| Name: | methyl 4-[[(3~{S})-1,1-bis(oxidanylidene)thiolan-3-yl]-(2,2-dimethylpropyl)amino]-4-oxidanylidene-but-2-enoate |
| Formula: | C14 H23 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 317.401 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 4-[[(3~{S})-1,1-bis(oxidanylidene)thiolan-3-yl]-(2,2-dimethylpropyl)amino]-4-oxidanylidene-but-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H23NO5S/c1-14(2,3)10-15(11-7-8-21(18,19)9-11)12(16)5-6-13(17)20-4/h5-6,11H,7-10H2,1-4H3/b6-5-/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | DKASLCTZAJFOAZ-GZTOBOFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)\C=C/C(=O)N(CC(C)(C)C)[C@H]1CC[S](=O)(=O)C1 |
| SMILES | CACTVS | 3.385 | COC(=O)C=CC(=O)N(CC(C)(C)C)[CH]1CC[S](=O)(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)CN([C@H]1CCS(=O)(=O)C1)C(=O)C=CC(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)C=CC(=O)OC |
