[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)thio]acetic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C22H24FNO4S MolecularWeight: 417.493663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC=CC=C2F

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC=CC=C2F

InChI

InChI=1S/C22H24FNO4S/c1-2-3-4-9-21(26)24-17-12-10-16(11-13-17)19(25)14-28-22(27)15-29-20-8-6-5-7-18(20)23/h5-8,10-13H,2-4,9,14-15H2,1H3,(H,24,26)