CCO
Summary
| Name: | CARBOXYMETHYLTHIO-3-(3-CHLOROPHENYL)-1,2,4-OXADIAZOL |
| Formula: | C10 H7 Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 270.692 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cccc(c1)c2nc(SCC(=O)O)on2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CSc1onc(n1)c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.341 | OC(=O)CSc1onc(n1)c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Cl)c2nc(on2)SCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Cl)c2nc(on2)SCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H7ClN2O3S/c11-7-3-1-2-6(4-7)9-12-10(16-13-9)17-5-8(14)15/h1-4H,5H2,(H,14,15) |
| InChIKey | InChI | 1.03 | BGDMJXZYDKFEGJ-UHFFFAOYSA-N |
