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SMILES: S1[C@H]2N(C(=O)[C@H]2NC(=O)CC#N)C(=C(C1)COC(=O)C)C(=O)O Canonical SMILES: CC(=O)OCC1=C(N2[C@H](SC1)[C@@H](C2=O)NC(=O)CC#N)C(=O)O InChI: InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1 InChIKey: RRYMAQUWDLIUPV-BXKDBHETSA-N
CBID:1223 http://www.chembase.cn/molecule-1223.html