ethyl 6-chloranyl-4-(4-methylphenyl)sulfanyl-2-methylsulfanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-(4-methylphenyl)sulfanyl-2-methylsulfanyl-quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-2-methylsulfanyl-4-(p-tolylsulfanyl)quinoline-3-carboxylate CAS Name: 6-chloro-4-[(4-methylphenyl)thio]-2-(methylthio)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-(4-methylphenyl)sulfanyl-2-methylsulfanylquinoline-3-carboxylate Traditional Name: 6-chloro-2-(methylthio)-4-(p-tolylthio)quinoline-3-carboxylic acid ethyl ester Formula: C20H18ClNO2S2 MolecularWeight: 403.94542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1SC)SC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1SC)SC3=CC=C(C=C3)C

InChI

InChI=1S/C20H18ClNO2S2/c1-4-24-20(23)17-18(26-14-8-5-12(2)6-9-14)15-11-13(21)7-10-16(15)22-19(17)25-3/h5-11H,4H2,1-3H3