butyl 4-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-[2,2,2-tris(fluoranyl)ethanoyl]amino]benzoate

Systemtic Name: butyl 4-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-[2,2,2-tris(fluoranyl)ethanoyl]amino]benzoate Openeye Name: butyl 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)-(2,2,2-trifluoroacetyl)amino]benzoate CAS Name: 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)-(2,2,2-trifluoro-1-oxoethyl)amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)-(2,2,2-trifluoroacetyl)amino]benzoate Traditional Name: 4-[(1,1-diketo-2,3-dihydrothiophen-3-yl)-(2,2,2-trifluoroacetyl)amino]benzoic acid butyl ester Formula: C17H18F3NO5S MolecularWeight: 405.38873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C(F)(F)F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C(F)(F)F

InChI

InChI=1S/C17H18F3NO5S/c1-2-3-9-26-15(22)12-4-6-13(7-5-12)21(16(23)17(18,19)20)14-8-10-27(24,25)11-14/h4-8,10,14H,2-3,9,11H2,1H3