| PDB CCD ID: | 3RV |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H13 F N2 O3 S |
| InChI: | InChI=1S/C21H13FN2O3S/c22-14-8-9-17(16(11-14)20(26)27)23-21-24-19(25)18(28-21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,26,27)(H,23,24,25)/b18-10- |
| InChIKey: | SWEIVYMGBOSFGN-ZDLGFXPLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1ccc2c(c1)cccc2C=C3C(=O)N=C(S3)Nc4ccc(cc4C(=O)O)F | | CACTVS 3.385 | OC(=O)c1cc(F)ccc1NC2=NC(=O)C(S2)=Cc3cccc4ccccc34 | | ACDLabs 12.01 | O=C(O)c1cc(F)ccc1NC2=NC(=O)C(\S2)=C\c4c3ccccc3ccc4 | | CACTVS 3.385 | OC(=O)c1cc(F)ccc1NC2=NC(=O)/C(S2)=C/c3cccc4ccccc34 | | OpenEye OEToolkits 1.7.6 | c1ccc2c(c1)cccc2/C=C\3/C(=O)N=C(S3)Nc4ccc(cc4C(=O)O)F |
|
| Name: | 5-fluoro-2-{[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid |
| ZINC: | ZINC000263621061 |
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