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

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C

InChI

InChI=1S/C23H22N2O3S/c1-16-8-9-22(17(2)12-16)29-15-23(27)28-14-21(26)19-13-25(11-5-10-24)20-7-4-3-6-18(19)20/h3-4,6-9,12-13H,5,11,14-15H2,1-2H3