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

Systemtic Name: methyl 4-[(2-methoxy-5-methoxycarbonyl-phenyl)methoxy]-2-[(3-methylphenyl)methylsulfanyl]quinoline-3-carboxylate Openeye Name: methyl 4-[(2-methoxy-5-methoxycarbonyl-phenyl)methoxy]-2-(m-tolylmethylsulfanyl)quinoline-3-carboxylate CAS Name: 4-[(2-methoxy-5-methoxycarbonylphenyl)methoxy]-2-[(3-methylphenyl)methylthio]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2-methoxy-5-methoxycarbonylphenyl)methoxy]-2-[(3-methylphenyl)methylsulfanyl]quinoline-3-carboxylate Traditional Name: 4-(5-carbomethoxy-2-methoxy-benzyl)oxy-2-[(3-methylbenzyl)thio]quinoline-3-carboxylic acid methyl ester Formula: C29H27NO6S MolecularWeight: 517.59278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=C2C(=O)OC)OCC4=C(C=CC(=C4)C(=O)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=C2C(=O)OC)OCC4=C(C=CC(=C4)C(=O)OC)OC

InChI

InChI=1S/C29H27NO6S/c1-18-8-7-9-19(14-18)17-37-27-25(29(32)35-4)26(22-10-5-6-11-23(22)30-27)36-16-21-15-20(28(31)34-3)12-13-24(21)33-2/h5-15H,16-17H2,1-4H3