[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)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-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

InChI

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