[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H24N2O3S/c25-21(23-13-14-28-18-8-2-1-3-9-18)16-27-22(26)12-6-7-17-15-24-20-11-5-4-10-19(17)20/h1-5,8-11,15,24H,6-7,12-14,16H2,(H,23,25)