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

Systemtic Name: methyl 4-[(2-methoxy-5-methoxycarbonyl-phenyl)methoxy]-2-(phenylmethylsulfanyl)quinoline-3-carboxylate Openeye Name: methyl 2-benzylsulfanyl-4-[(2-methoxy-5-methoxycarbonyl-phenyl)methoxy]quinoline-3-carboxylate CAS Name: 4-[(2-methoxy-5-methoxycarbonylphenyl)methoxy]-2-(phenylmethylthio)-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-4-[(2-methoxy-5-methoxycarbonylphenyl)methoxy]quinoline-3-carboxylate Traditional Name: 2-(benzylthio)-4-(5-carbomethoxy-2-methoxy-benzyl)oxy-quinoline-3-carboxylic acid methyl ester Formula: C28H25NO6S MolecularWeight: 503.5662

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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=CC=C4)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H25NO6S/c1-32-23-14-13-19(27(30)33-2)15-20(23)16-35-25-21-11-7-8-12-22(21)29-26(24(25)28(31)34-3)36-17-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3