ethyl 2-butylsulfanyl-6,8-bis(chloranyl)quinoline-4-carboxylate

Systemtic Name: ethyl 2-butylsulfanyl-6,8-bis(chloranyl)quinoline-4-carboxylate Openeye Name: ethyl 2-butylsulfanyl-6,8-dichloro-quinoline-4-carboxylate CAS Name: 2-(butylthio)-6,8-dichloro-4-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butylsulfanyl-6,8-dichloroquinoline-4-carboxylate Traditional Name: 2-(butylthio)-6,8-dichloro-cinchoninic acid ethyl ester Formula: C16H17Cl2NO2S MolecularWeight: 358.28268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C=C(C=C2C(=C1)C(=O)OCC)Cl)Cl

Isomeric SMILES

CCCCSC1=NC2=C(C=C(C=C2C(=C1)C(=O)OCC)Cl)Cl

InChI

InChI=1S/C16H17Cl2NO2S/c1-3-5-6-22-14-9-12(16(20)21-4-2)11-7-10(17)8-13(18)15(11)19-14/h7-9H,3-6H2,1-2H3