| PDB CCD ID: | SEH |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H13 N O4 S2 |
| InChI: | InChI=1S/C10H13NO4S2/c1-2-16-10(11-15-17(12,13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13,14)/b11-10- |
| InChIKey: | VZFUNHITNWTQFU-KHPPLWFESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CCSC(Cc1ccccc1)=NO[S](O)(=O)=O | | ACDLabs 10.04 | O=S(=O)(O)O\N=C(/SCC)Cc1ccccc1 | | OpenEye OEToolkits 1.5.0 | CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1 | | OpenEye OEToolkits 1.5.0 | CCSC(=NOS(=O)(=O)O)Cc1ccccc1 | | CACTVS 3.341 | CCS\C(Cc1ccccc1)=N/O[S](O)(=O)=O |
|
| Name: | S-BENZYL PHENYLACETOTHIOHYDROXIMATE-O-SULFATE;
ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE |
| DrugBank: | DB04779 |
| ZINC: | ZINC000012504511 |
umich.edu