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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H20N2O3S/c1-26-16-6-4-5-15(11-16)22-19(23)13-25-20(24)10-9-14-12-21-18-8-3-2-7-17(14)18/h2-8,11-12,21H,9-10,13H2,1H3,(H,22,23)