Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccc(C(=O)CCSCC(C(=O)O)N)cc1Cl |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CSCCC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](CSCCC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C(=O)CCSC[C@@H](C(=O)O)N)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C(=O)CCSCC(C(=O)O)N)Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C12H13Cl2NO3S/c13-8-2-1-7(5-9(8)14)11(16)3-4-19-6-10(15)12(17)18/h1-2,5,10H,3-4,6,15H2,(H,17,18)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | WBRMJWLALJKZJY-JTQLQIEISA-N |