| PDB CCD ID: | VST |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H10 F N O3 S |
| InChI: | InChI=1S/C10H10FNO3S/c1-15-12-9-4-5-16(13,14)10-3-2-7(11)6-8(9)10/h2-3,6H,4-5H2,1H3/b12-9- |
| InChIKey: | DVTCQRPNMVTBIK-XFXZXTDPSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CON=C1CC[S](=O)(=O)c2ccc(F)cc12 | | OpenEye OEToolkits 2.0.7 | CON=C1CCS(=O)(=O)c2c1cc(cc2)F | | OpenEye OEToolkits 2.0.7 | CO/N=C\1/CCS(=O)(=O)c2c1cc(cc2)F | | ACDLabs 12.01 | Fc1ccc2c(c1)C(/CCS2(=O)=O)=N\OC | | CACTVS 3.385 | CO\N=C/1CC[S](=O)(=O)c2ccc(F)cc/12 |
|
| Name: | (4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione |
umich.edu