8FK
Summary
| Name: | (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide |
| Formula: | C19 H18 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 354.423 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H18N2O3S/c1-21-14-9-8-12(20-18(22)15-6-4-10-24-15)11-17(14)25-16-7-3-2-5-13(16)19(21)23/h2-3,5,7-9,11,15H,4,6,10H2,1H3,(H,20,22)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | DOZUHRRHXYFZFW-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)c2ccccc2Sc3cc(NC(=O)[C@@H]4CCCO4)ccc13 |
| SMILES | CACTVS | 3.385 | CN1C(=O)c2ccccc2Sc3cc(NC(=O)[CH]4CCCO4)ccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)[C@@H]4CCCO4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)C4CCCO4 |
