Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)C1=CC2(CCS1)SC(=O)NC2=O |
InChI | InChI | 1.06 | InChI=1S/C13H11NO3S2/c15-9-3-1-8(2-4-9)10-7-13(5-6-18-10)11(16)14-12(17)19-13/h1-4,7,15H,5-6H2,(H,14,16,17)/t13-/m1/s1 |
InChIKey | InChI | 1.06 | VJAVMIFSWYAVBZ-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)C2=C[C@@]3(CCS2)SC(=O)NC3=O |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C2=C[C]3(CCS2)SC(=O)NC3=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2=C[C@]3(CCS2)C(=O)NC(=O)S3)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2=CC3(CCS2)C(=O)NC(=O)S3)O |