(4-methylsulfanylphenyl)methyl quinoline-2-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl quinoline-2-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid [4-(methylthio)benzyl] ester Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H15NO2S/c1-22-15-9-6-13(7-10-15)12-21-18(20)17-11-8-14-4-2-3-5-16(14)19-17/h2-11H,12H2,1H3