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

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)NC3=CC=CC=C3SCC=C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)NC3=CC=CC=C3SCC=C)C

InChI

InChI=1S/C24H24N2O3S/c1-4-14-30-21-13-9-8-12-20(21)26-22(27)15-29-24(28)23-16(3)17-10-6-7-11-19(17)25-18(23)5-2/h4,6-13H,1,5,14-15H2,2-3H3,(H,26,27)