[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H18N2O4S/c23-18-12-17(22-16-9-5-4-8-15(16)18)20(25)26-13-19(24)21-10-11-27-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,21,24)(H,22,23)