[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] quinoline-8-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] quinoline-8-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] quinoline-8-carboxylate CAS Name: 8-quinolinecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] quinoline-8-carboxylate Traditional Name: quinoline-8-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H20N2O3S/c24-19(22-13-6-14-27-17-9-2-1-3-10-17)15-26-21(25)18-11-4-7-16-8-5-12-23-20(16)18/h1-5,7-12H,6,13-15H2,(H,22,24)