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

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O3S/c1-27-19-11-5-4-10-18(19)23-20(24)14-26-21(25)12-6-7-15-13-22-17-9-3-2-8-16(15)17/h2-5,8-11,13,22H,6-7,12,14H2,1H3,(H,23,24)