methyl 3-bis(fluoranyl)boranyl-4-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: methyl 3-bis(fluoranyl)boranyl-4-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: methyl 3-difluoroboranyl-4-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 3-difluoroboranyl-4-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-difluoroboranyl-4-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 3-difluoroboranyl-4-[[2-(2-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C14H12BF2NO3S MolecularWeight: 323.122786

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(C=CC(=C1)C(=O)OC)NC(=O)CC2=CC=CS2)(F)F

Isomeric SMILES

B(C1=C(C=CC(=C1)C(=O)OC)NC(=O)CC2=CC=CS2)(F)F

InChI

InChI=1S/C14H12BF2NO3S/c1-21-14(20)9-4-5-12(11(7-9)15(16)17)18-13(19)8-10-3-2-6-22-10/h2-7H,8H2,1H3,(H,18,19)