Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(c(c(ccc1)C)OCCSc2nc3c(n2CC(O)=O)cccc3)C |
InChI | InChI | 1.03 | InChI=1S/C19H20N2O3S/c1-13-6-5-7-14(2)18(13)24-10-11-25-19-20-15-8-3-4-9-16(15)21(19)12-17(22)23/h3-9H,10-12H2,1-2H3,(H,22,23) |
InChIKey | InChI | 1.03 | ZAHFRMHMWCBLOL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(C)c1OCCSc2nc3ccccc3n2CC(O)=O |
SMILES | CACTVS | 3.385 | Cc1cccc(C)c1OCCSc2nc3ccccc3n2CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C |