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SMILES: [C@H]12[C@]3(O[C@@H]([C@H]1C(=O)Nc1nccs1)C=C3)CN(C2=O)CCc1c[nH]c2c1cccc2 Canonical SMILES: O=C([C@@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2)Nc1nccs1 InChI: InChI=1S/C22H20N4O3S/c27-19(25-21-23-8-10-30-21)17-16-5-7-22(29-16)12-26(20(28)18(17)22)9-6-13-11-24-15-4-2-1-3-14(13)15/h1-5,7-8,10-11,16-18,24H,6,9,12H2,(H,23,25,27)/t16-,17-,18+,22-/m1/s1 InChIKey: COOXOXMJIRONNU-QSNWEANLSA-N
CBID:218512 http://www.chembase.cn/molecule-218512.html