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

Systemtic Name: methyl 4-methyl-2-[[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]amino]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]methyl]quinoline-3-carboxylate Traditional Name: 2-[[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-amino]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN(C)CC(=O)NC3=CC=CC=C3SC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN(C)CC(=O)NC3=CC=CC=C3SC)C(=O)OC

InChI

InChI=1S/C23H25N3O3S/c1-15-16-9-5-6-10-17(16)24-19(22(15)23(28)29-3)13-26(2)14-21(27)25-18-11-7-8-12-20(18)30-4/h5-12H,13-14H2,1-4H3,(H,25,27)