[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C21H18N2O5S/c24-18(10-11-29-14-6-2-1-3-7-14)23-20(26)13-28-21(27)16-12-19(25)22-17-9-5-4-8-15(16)17/h1-9,12H,10-11,13H2,(H,22,25)(H,23,24,26)