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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O3S/c1-3-19-16(2)22(18-11-7-8-12-20(18)25-19)23(27)28-15-21(26)24-13-14-29-17-9-5-4-6-10-17/h4-12H,3,13-15H2,1-2H3,(H,24,26)