phenyl 2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]-2-(trifluoromethylsulfonylamino)propanoate

Systemtic Name: phenyl 2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]-2-(trifluoromethylsulfonylamino)propanoate Openeye Name: phenyl 2-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]-2-(trifluoromethylsulfonylamino)propanoate CAS Name: 2-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-2-(trifluoromethylsulfonylamino)propanoic acid phenyl ester IUPAC Name: phenyl 2-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]-2-(trifluoromethylsulfonylamino)propanoate Traditional Name: 2-[(5-amidinobenzofuran-2-carbonyl)amino]-2-(triflylamino)propionic acid phenyl ester Formula: C20H17F3N4O6S MolecularWeight: 498.43239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CC=C1)(NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C(=O)OC1=CC=CC=C1)(NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O6S/c1-19(27-34(30,31)20(21,22)23,18(29)32-13-5-3-2-4-6-13)26-17(28)15-10-12-9-11(16(24)25)7-8-14(12)33-15/h2-10,27H,1H3,(H3,24,25)(H,26,28)