[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O3S/c1-16-19-10-6-7-11-20(19)25-17(2)22(16)23(27)28-14-21(26)24-12-13-29-15-18-8-4-3-5-9-18/h3-11H,12-15H2,1-2H3,(H,24,26)