(4-methylsulfanylphenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [4-(methylthio)benzyl] ester Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H21NO2S/c1-4-18-14(2)20(17-7-5-6-8-19(17)22-18)21(23)24-13-15-9-11-16(25-3)12-10-15/h5-12H,4,13H2,1-3H3