[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-(1H-indol-3-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-(1H-indol-3-yl)ethanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-(1H-indol-3-yl)acetate CAS Name: 2-(1H-indol-3-yl)acetic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-(1H-indol-3-yl)acetate Traditional Name: 2-(1H-indol-3-yl)acetic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H20N2O4S/c24-19(10-11-28-16-6-2-1-3-7-16)23-20(25)14-27-21(26)12-15-13-22-18-9-5-4-8-17(15)18/h1-9,13,22H,10-12,14H2,(H,23,24,25)