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

Systemtic Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-4-[(2-methoxy-5-methoxycarbonyl-phenyl)methoxy]quinoline-3-carboxylate Openeye Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-4-[(2-methoxy-5-methoxycarbonyl-phenyl)methoxy]quinoline-3-carboxylate CAS Name: 2-[(4-chlorophenyl)methylthio]-4-[(2-methoxy-5-methoxycarbonylphenyl)methoxy]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-4-[(2-methoxy-5-methoxycarbonylphenyl)methoxy]quinoline-3-carboxylate Traditional Name: 4-(5-carbomethoxy-2-methoxy-benzyl)oxy-2-[(4-chlorobenzyl)thio]quinoline-3-carboxylic acid methyl ester Formula: C28H24ClNO6S MolecularWeight: 538.01126

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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=CC=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H24ClNO6S/c1-33-23-13-10-18(27(31)34-2)14-19(23)15-36-25-21-6-4-5-7-22(21)30-26(24(25)28(32)35-3)37-16-17-8-11-20(29)12-9-17/h4-14H,15-16H2,1-3H3