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

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-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-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-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=C(C=C(C=C1)SCC(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C

Isomeric SMILES

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

InChI

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