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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-15-18-10-6-7-11-19(18)24-16(2)21(15)22(26)27-14-20(25)23-12-13-28-17-8-4-3-5-9-17/h3-11H,12-14H2,1-2H3,(H,23,25)