(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C21H22FNO4S/c1-21(2,3)18(24)12-27-20(26)16-6-4-5-7-17(16)28-13-19(25)23-15-10-8-14(22)9-11-15/h4-11H,12-13H2,1-3H3,(H,23,25)