methyl 4-[(2,5-dimethylphenyl)methoxy]-2-methylsulfanyl-quinoline-3-carboxylate

Systemtic Name: methyl 4-[(2,5-dimethylphenyl)methoxy]-2-methylsulfanyl-quinoline-3-carboxylate Openeye Name: methyl 4-[(2,5-dimethylphenyl)methoxy]-2-methylsulfanyl-quinoline-3-carboxylate CAS Name: 4-[(2,5-dimethylphenyl)methoxy]-2-(methylthio)-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2,5-dimethylphenyl)methoxy]-2-methylsulfanylquinoline-3-carboxylate Traditional Name: 4-(2,5-dimethylbenzyl)oxy-2-(methylthio)quinoline-3-carboxylic acid methyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC2=C(C(=NC3=CC=CC=C32)SC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC2=C(C(=NC3=CC=CC=C32)SC)C(=O)OC

InChI

InChI=1S/C21H21NO3S/c1-13-9-10-14(2)15(11-13)12-25-19-16-7-5-6-8-17(16)22-20(26-4)18(19)21(23)24-3/h5-11H,12H2,1-4H3