methyl 2-[(4-chlorophenyl)methylsulfanyl]-4-[(5-methanoyl-2-methoxy-phenyl)methoxy]quinoline-3-carboxylate

Systemtic Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-4-[(5-methanoyl-2-methoxy-phenyl)methoxy]quinoline-3-carboxylate Openeye Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-4-[(5-formyl-2-methoxy-phenyl)methoxy]quinoline-3-carboxylate CAS Name: 2-[(4-chlorophenyl)methylthio]-4-[(5-formyl-2-methoxyphenyl)methoxy]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-4-[(5-formyl-2-methoxyphenyl)methoxy]quinoline-3-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thio]-4-(5-formyl-2-methoxy-benzyl)oxy-quinoline-3-carboxylic acid methyl ester Formula: C27H22ClNO5S MolecularWeight: 507.98528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClNO5S/c1-32-23-12-9-18(14-30)13-19(23)15-34-25-21-5-3-4-6-22(21)29-26(24(25)27(31)33-2)35-16-17-7-10-20(28)11-8-17/h3-14H,15-16H2,1-2H3