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

Systemtic Name: methyl 4-methyl-2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]quinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H24N2O2S MolecularWeight: 380.50316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN(C)CC3=CC=C(C=C3)SC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN(C)CC3=CC=C(C=C3)SC)C(=O)OC

InChI

InChI=1S/C22H24N2O2S/c1-15-18-7-5-6-8-19(18)23-20(21(15)22(25)26-3)14-24(2)13-16-9-11-17(27-4)12-10-16/h5-12H,13-14H2,1-4H3