[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

InChI

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