[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] quinoline-8-carboxylate

Systemtic Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] quinoline-8-carboxylate Openeye Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl] quinoline-8-carboxylate CAS Name: 8-quinolinecarboxylic acid [2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl] quinoline-8-carboxylate Traditional Name: quinoline-8-carboxylic acid [2-keto-2-[methyl-[4-(methylthio)benzyl]amino]ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)COC(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)COC(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-23(13-15-8-10-17(27-2)11-9-15)19(24)14-26-21(25)18-7-3-5-16-6-4-12-22-20(16)18/h3-12H,13-14H2,1-2H3