| PDB CCD ID: | ITB |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C14 H9 N O7 S |
| InChI: | InChI=1S/C14H9NO7S/c16-10(17)6-15-13(18)11-8-4-2-1-3-7(8)5-9(14(19)20)12(11)23(15,21)22/h1-5H,6H2,(H,16,17)(H,19,20) |
| InChIKey: | ZTJGXDGAXGWOGR-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)O | | CACTVS 3.341 | OC(=O)CN1C(=O)c2c3ccccc3cc(C(O)=O)c2[S]1(=O)=O | | ACDLabs 10.04 | O=C(O)c2cc1ccccc1c3c2S(=O)(=O)N(C3=O)CC(=O)O |
|
| Name: | 2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE;
2-CARBOXYMETHYL-1,3,3-TRIOXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID |
| DrugBank: | DB08000 |
| ZINC: | ZINC000011536144 |
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