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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate CAS Name: 2-(methoxymethyl)-4-methyl-3-quinolinecarboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate Traditional Name: 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H22N2O4S/c1-14-17-9-4-5-10-18(17)24-19(12-27-2)21(14)22(26)28-13-20(25)23-15-7-6-8-16(11-15)29-3/h4-11H,12-13H2,1-3H3,(H,23,25)