3-[2-(dihydroxyboranyl)-2-(thiophen-2-ylcarbonylamino)ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[2-(dihydroxyboranyl)-2-(thiophen-2-ylcarbonylamino)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-borono-2-(thiophene-2-carbonylamino)ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-(thiophene-2-carbonylamino)ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-(2-thenoylamino)ethyl]-2-hydroxy-benzoic acid Formula: C14H14BNO6S MolecularWeight: 335.14006

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)C2=CC=CS2)(O)O

Isomeric SMILES

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)C2=CC=CS2)(O)O

InChI

InChI=1S/C14H14BNO6S/c17-12-8(3-1-4-9(12)14(19)20)7-11(15(21)22)16-13(18)10-5-2-6-23-10/h1-6,11,17,21-22H,7H2,(H,16,18)(H,19,20)