Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CSC1Cc2cc(Cl)ccc2Sc2ccccc12 |
InChI | InChI | 1.06 | InChI=1S/C16H13ClO2S2/c17-11-5-6-13-10(7-11)8-15(20-9-16(18)19)12-3-1-2-4-14(12)21-13/h1-7,15H,8-9H2,(H,18,19)/t15-/m1/s1 |
InChIKey | InChI | 1.06 | KJHPPRXFYCSKDF-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CS[C@@H]1Cc2cc(Cl)ccc2Sc3ccccc13 |
SMILES | CACTVS | 3.385 | OC(=O)CS[CH]1Cc2cc(Cl)ccc2Sc3ccccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[C@@H](Cc3cc(ccc3S2)Cl)SCC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(Cc3cc(ccc3S2)Cl)SCC(=O)O |