methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-[(2-methoxy-5-methoxycarbonyl-phenyl)methoxy]quinoline-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-[(2-methoxy-5-methoxycarbonyl-phenyl)methoxy]quinoline-3-carboxylate Openeye Name: methyl 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-4-[(2-methoxy-5-methoxycarbonyl-phenyl)methoxy]quinoline-3-carboxylate CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-4-[(2-methoxy-5-methoxycarbonylphenyl)methoxy]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-[(2-methoxy-5-methoxycarbonylphenyl)methoxy]quinoline-3-carboxylate Traditional Name: 4-(5-carbomethoxy-2-methoxy-benzyl)oxy-2-[(2-chloro-4-fluoro-benzyl)thio]quinoline-3-carboxylic acid methyl ester Formula: C28H23ClFNO6S MolecularWeight: 556.001723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC)COC2=C(C(=NC3=CC=CC=C32)SCC4=C(C=C(C=C4)F)Cl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC)COC2=C(C(=NC3=CC=CC=C32)SCC4=C(C=C(C=C4)F)Cl)C(=O)OC

InChI

InChI=1S/C28H23ClFNO6S/c1-34-23-11-9-16(27(32)35-2)12-18(23)14-37-25-20-6-4-5-7-22(20)31-26(24(25)28(33)36-3)38-15-17-8-10-19(30)13-21(17)29/h4-13H,14-15H2,1-3H3