ethyl 4-[[1,1,1-tris(fluoranyl)-4-oxidanylidene-4-thiophen-2-yl-but-2-en-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[1,1,1-tris(fluoranyl)-4-oxidanylidene-4-thiophen-2-yl-but-2-en-2-yl]amino]benzoate Openeye Name: ethyl 4-[[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)prop-1-enyl]amino]benzoate CAS Name: 4-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-yl)amino]benzoate Traditional Name: 4-[[3-keto-3-(2-thienyl)-1-(trifluoromethyl)prop-1-enyl]amino]benzoic acid ethyl ester Formula: C17H14F3NO3S MolecularWeight: 369.35817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=CC(=O)C2=CC=CS2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=CC(=O)C2=CC=CS2)C(F)(F)F

InChI

InChI=1S/C17H14F3NO3S/c1-2-24-16(23)11-5-7-12(8-6-11)21-15(17(18,19)20)10-13(22)14-4-3-9-25-14/h3-10,21H,2H2,1H3