種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1cc(ccc1C(NO)=O)c2c3c(sc2)C(C=C(O3)N4CCOCC4)=O |
InChI | InChI | 1.03 | InChI=1S/C18H16N2O5S/c21-14-9-15(20-5-7-24-8-6-20)25-16-13(10-26-17(14)16)11-1-3-12(4-2-11)18(22)19-23/h1-4,9-10,23H,5-8H2,(H,19,22) |
InChIKey | InChI | 1.03 | SEKOPSVILCFYRX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1ccc(cc1)c2csc3C(=O)C=C(Oc23)N4CCOCC4 |
SMILES | CACTVS | 3.385 | ONC(=O)c1ccc(cc1)c2csc3C(=O)C=C(Oc23)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2csc3c2OC(=CC3=O)N4CCOCC4)C(=O)NO |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2csc3c2OC(=CC3=O)N4CCOCC4)C(=O)NO |