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SMILES: c1(c2nc3c(s2)cccc3)c(n[nH]c1COCC(=O)O)c1c(cc(c(c1)CCC)O)O Canonical SMILES: CCCc1cc(c(cc1O)O)c1n[nH]c(c1c1nc2c(s1)cccc2)COCC(=O)O InChI: InChI=1S/C22H21N3O5S/c1-2-5-12-8-13(17(27)9-16(12)26)21-20(15(24-25-21)10-30-11-19(28)29)22-23-14-6-3-4-7-18(14)31-22/h3-4,6-9,26-27H,2,5,10-11H2,1H3,(H,24,25)(H,28,29) InChIKey: BTBWAHXPQOTMER-UHFFFAOYSA-N
CBID:222890 http://www.chembase.cn/molecule-222890.html