VST
Summary
| Name: | (4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione |
| Formula: | C10 H10 F N O3 S |
| Formal charge: | 0 |
| Formula weight: | 243.255 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione |
| OpenEye OEToolkits | 2.0.7 | (~{Z})-6-fluoranyl-~{N}-methoxy-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-4-imine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc2c(c1)C(/CCS2(=O)=O)=N\OC |
| InChI | InChI | 1.06 | 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 | InChI | 1.06 | DVTCQRPNMVTBIK-XFXZXTDPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO\N=C/1CC[S](=O)(=O)c2ccc(F)cc/12 |
| SMILES | CACTVS | 3.385 | CON=C1CC[S](=O)(=O)c2ccc(F)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO/N=C\1/CCS(=O)(=O)c2c1cc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CON=C1CCS(=O)(=O)c2c1cc(cc2)F |
