PDB CCD ID: | DZ5 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C9 H7 F O2 S |
InChI: | InChI=1S/C9H7FO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5- |
InChIKey: | IBSBBUUSPOCCFV-YVMONPNESA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 2.0.4 | c1cc(ccc1/C=C(/C(=O)O)\S)F | CACTVS 3.385 | OC(=O)C(S)=Cc1ccc(F)cc1 | ACDLabs 12.01 | O=C(O)\C(=C\c1ccc(cc1)F)S | OpenEye OEToolkits 2.0.4 | c1cc(ccc1C=C(C(=O)O)S)F | CACTVS 3.385 | OC(=O)\C(S)=C\c1ccc(F)cc1 |
|
Name: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid |
ChEMBL: | CHEMBL3221930 |
ZINC: | ZINC000100902433 |