[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)thio]acetic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO4S/c1-14(2)11-20(25)23-16-9-7-15(8-10-16)18(24)12-27-21(26)13-28-19-6-4-3-5-17(19)22/h3-10,14H,11-13H2,1-2H3,(H,23,25)