PDB CCD ID: | 3RY |
Number of entries in BioLiP: | 1 |
Chemical formula: | C21 H16 N2 O3 S |
InChI: | InChI=1S/C21H16N2O3S/c24-19-18(12-14-8-5-7-13-6-1-2-9-15(13)14)27-21(23-19)22-17-11-4-3-10-16(17)20(25)26/h1-11,27H,12H2,(H,25,26)(H,22,23,24) |
InChIKey: | LOJPZHDHFDLIRT-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | O=C(O)c1ccccc1NC2=NC(=O)C(=S2)Cc3cccc4c3cccc4 | CACTVS 3.385 | OC(=O)c1ccccc1NC2=NC(=O)C(=[SH]2)Cc3cccc4ccccc34 | OpenEye OEToolkits 1.7.6 | c1ccc2c(c1)cccc2CC3=SC(=NC3=O)Nc4ccccc4C(=O)O |
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Name: | 2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4H-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid |