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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O3S/c24-20(22-12-13-27-17-6-2-1-3-7-17)15-26-21(25)11-10-16-14-23-19-9-5-4-8-18(16)19/h1-9,14,23H,10-13,15H2,(H,22,24)