[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate CAS Name: 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate Traditional Name: 2-keto-3,4-dihydro-1H-quinoline-6-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c24-19-10-8-15-13-16(7-9-18(15)23-19)21(26)27-14-20(25)22-11-4-12-28-17-5-2-1-3-6-17/h1-3,5-7,9,13H,4,8,10-12,14H2,(H,22,25)(H,23,24)