種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C\C(NC(=O)c1cccs1)=C\c1ccc(s1)N1CCOCC1 |
InChI | InChI | 1.06 | InChI=1S/C16H16N2O3S2/c19-11-12(17-16(20)14-2-1-9-22-14)10-13-3-4-15(23-13)18-5-7-21-8-6-18/h1-4,9-11H,5-8H2,(H,17,20)/b12-10- |
InChIKey | InChI | 1.06 | KZHJLIYVOMIHCX-BENRWUELSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=CC(/NC(=O)c1sccc1)=C/c2sc(cc2)N3CCOCC3 |
SMILES | CACTVS | 3.385 | O=CC(NC(=O)c1sccc1)=Cc2sc(cc2)N3CCOCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C(=O)N/C(=C\c2ccc(s2)N3CCOCC3)/C=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C(=O)NC(=Cc2ccc(s2)N3CCOCC3)C=O |