種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C18H17FN2O3S/c1-10-17(15-6-11(15)8-22)21-16(23)7-13(20-18(21)25-10)9-24-14-4-2-12(19)3-5-14/h2-5,7,11,15,22H,6,8-9H2,1H3/t11-,15+/m0/s1 |
InChIKey | InChI | 1.03 | CJDCZVBFZVDWJU-XHDPSFHLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=C([C@@H]2C[C@H]2CO)N3C(=O)C=C(COc4ccc(F)cc4)N=C3S1 |
SMILES | CACTVS | 3.385 | CC1=C([CH]2C[CH]2CO)N3C(=O)C=C(COc4ccc(F)cc4)N=C3S1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@@H]4C[C@H]4CO |
SMILES | OpenEye OEToolkits | 2.0.5 | CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)C4CC4CO |