[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)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-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)COC(=O)CSC3=CC=CC=C3F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)COC(=O)CSC3=CC=CC=C3F

InChI

InChI=1S/C21H17FN2O3S/c22-17-7-2-4-9-20(17)28-14-21(26)27-13-19(25)16-12-24(11-5-10-23)18-8-3-1-6-15(16)18/h1-4,6-9,12H,5,11,13-14H2