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SMILES: c1c(n2c(n1)COCC2)/C=C/1\[C@@H]2N(C1=O)C(=CS2)C(=O)[O-].O.[Na+] Canonical SMILES: O=C1/C(=C/c2cnc3n2CCOC3)/[C@@H]2N1C(=CS2)C(=O)[O-].O.[Na+] InChI: InChI=1S/C13H11N3O4S.Na.H2O/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-14-10-5-20-2-1-15(7)10;;/h3-4,6,12H,1-2,5H2,(H,18,19);;1H2/q;+1;/p-1/t12-;;/m1../s1 InChIKey: UAZCFKAYAYJPDM-CURYUGHLSA-M
CBID:154890 http://www.chembase.cn/molecule-154890.html