| PDB CCD ID: | A1CDE |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H14 N4 O4 S2 |
| InChI: | InChI=1S/C17H14N4O4S2/c22-15(14-20-13-6-9-26-17(13)27(23,24)21-14)19-10-12(16-18-7-8-25-16)11-4-2-1-3-5-11/h1-9,12H,10H2,(H,19,22)(H,20,21)/t12-/m1/s1 |
| InChIKey: | MMUNNTCYFDEUHX-GFCCVEGCSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 3.1.0.0 | c1ccc(cc1)C(CNC(=O)C2=Nc3ccsc3S(=O)(=O)N2)c4ncco4 | | OpenEye OEToolkits 3.1.0.0 | c1ccc(cc1)[C@@H](CNC(=O)C2=Nc3ccsc3S(=O)(=O)N2)c4ncco4 | | CACTVS 3.385 | O=C(NC[C@@H](c1occn1)c2ccccc2)C3=Nc4ccsc4[S](=O)(=O)N3 | | CACTVS 3.385 | O=C(NC[CH](c1occn1)c2ccccc2)C3=Nc4ccsc4[S](=O)(=O)N3 | | ACDLabs 14.52 | O=C(NCC(c1ccccc1)c1ncco1)C1=Nc2ccsc2S(=O)(=O)N1 |
|
| Name: | N-[(2S)-2-(1,3-oxazol-2-yl)-2-phenylethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[3,2-e][1,2,4]thiadiazine-3-carboxamide |
