Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1sc2c(c(n(c2c1)C)c3ccccc3)C4CCCCC4 |
SMILES_CANONICAL | CACTVS | 3.352 | Cn1c2cc(sc2c(C3CCCCC3)c1c4ccccc4)C(O)=O |
SMILES | CACTVS | 3.352 | Cn1c2cc(sc2c(C3CCCCC3)c1c4ccccc4)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cn1c2cc(sc2c(c1c3ccccc3)C4CCCCC4)C(=O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | Cn1c2cc(sc2c(c1c3ccccc3)C4CCCCC4)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C20H21NO2S/c1-21-15-12-16(20(22)23)24-19(15)17(13-8-4-2-5-9-13)18(21)14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,22,23) |
InChIKey | InChI | 1.03 | BNIGSPMLDODEAJ-UHFFFAOYSA-N |