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227958-96-5 molecular structure
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ethyl 4,6-dichloro-2-(methylsulfanyl)quinoline-3-carboxylate

ChemBase ID: 91864
Molecular Formular: C13H11Cl2NO2S
Molecular Mass: 316.20294
Monoisotopic Mass: 314.98875496
SMILES and InChIs

SMILES:
n1c(c(c(c2c1ccc(c2)Cl)Cl)C(=O)OCC)SC
Canonical SMILES:
CCOC(=O)c1c(SC)nc2c(c1Cl)cc(cc2)Cl
InChI:
InChI=1S/C13H11Cl2NO2S/c1-3-18-13(17)10-11(15)8-6-7(14)4-5-9(8)16-12(10)19-2/h4-6H,3H2,1-2H3
InChIKey:
NRGNGBKXHHRCBD-UHFFFAOYSA-N

Cite this record

CBID:91864 http://www.chembase.cn/molecule-91864.html

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