[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)C2=CNC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)C2=CNC3=CC=CC=C32)C

InChI

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