tris(fluoranyl)-[3-methoxycarbonyl-5-(2-thiophen-2-ylethanoylamino)phenyl]boranuide

Systemtic Name: tris(fluoranyl)-[3-methoxycarbonyl-5-(2-thiophen-2-ylethanoylamino)phenyl]boranuide Openeye Name: trifluoro-[3-methoxycarbonyl-5-[[2-(2-thienyl)acetyl]amino]phenyl]boranuide CAS Name: trifluoro-[3-methoxycarbonyl-5-[(1-oxo-2-thiophen-2-ylethyl)amino]phenyl]boranuide IUPAC Name: trifluoro-[3-methoxycarbonyl-5-[(2-thiophen-2-ylacetyl)amino]phenyl]boranuide Traditional Name: [3-carbomethoxy-5-[[2-(2-thienyl)acetyl]amino]phenyl]-trifluoro-boranuide Formula: C14H12BF3NO3S- MolecularWeight: 342.12119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BF3NO3S/c1-22-14(21)9-5-10(15(16,17)18)7-11(6-9)19-13(20)8-12-3-2-4-23-12/h2-7H,8H2,1H3,(H,19,20)/q-1