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

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OC(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OC(C)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H19NO3S/c1-13-7-3-6-10-18(13)25-12-19(22)24-14(2)20(23)16-11-21-17-9-5-4-8-15(16)17/h3-11,14,21H,12H2,1-2H3