[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H24N2O3S/c1-15-7-8-16(2)20(11-15)28-14-22(26)27-13-21(25)23-10-9-17-12-24-19-6-4-3-5-18(17)19/h3-8,11-12,24H,9-10,13-14H2,1-2H3,(H,23,25)