A1JKU
Summary
| Name: | ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-oxidanyl-2-oxidanylidene-6-phenyl-1~{H}-pyridine-3-carboxamide |
| Formula: | C16 H16 N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 348.374 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-oxidanyl-2-oxidanylidene-6-phenyl-1~{H}-pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H16N2O5S/c19-13-8-12(15(20)17-11-6-7-24(22,23)9-11)16(21)18-14(13)10-4-2-1-3-5-10/h1-5,8,11,19H,6-7,9H2,(H,17,20)(H,18,21)/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | HYYQARCJUJYSAT-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=C(NC(=O)C(=C1)C(=O)N[C@@H]2CC[S](=O)(=O)C2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | OC1=C(NC(=O)C(=C1)C(=O)N[CH]2CC[S](=O)(=O)C2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2=C(C=C(C(=O)N2)C(=O)N[C@@H]3CCS(=O)(=O)C3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2=C(C=C(C(=O)N2)C(=O)NC3CCS(=O)(=O)C3)O |
