ethyl 4-methyl-2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[methyl-[[4-(methylthio)phenyl]methyl]amino]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[methyl-[4-(methylthio)benzyl]amino]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN(C)CC3=CC=C(C=C3)SC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN(C)CC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C23H26N2O2S/c1-5-27-23(26)22-16(2)19-8-6-7-9-20(19)24-21(22)15-25(3)14-17-10-12-18(28-4)13-11-17/h6-13H,5,14-15H2,1-4H3