4-[[2-(dihydroxyboranyl)-1-benzothiophen-5-yl]methylamino]benzoic acid

Systemtic Name: 4-[[2-(dihydroxyboranyl)-1-benzothiophen-5-yl]methylamino]benzoic acid Openeye Name: 4-[(2-boronobenzothiophen-5-yl)methylamino]benzoic acid CAS Name: 4-[(2-borono-1-benzothiophen-5-yl)methylamino]benzoic acid IUPAC Name: 4-[(2-borono-1-benzothiophen-5-yl)methylamino]benzoic acid Traditional Name: 4-[(2-boronobenzothiophen-5-yl)methylamino]benzoic acid Formula: C16H14BNO4S MolecularWeight: 327.16266

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC2=C(S1)C=CC(=C2)CNC3=CC=C(C=C3)C(=O)O)(O)O

Isomeric SMILES

B(C1=CC2=C(S1)C=CC(=C2)CNC3=CC=C(C=C3)C(=O)O)(O)O

InChI

InChI=1S/C16H14BNO4S/c19-16(20)11-2-4-13(5-3-11)18-9-10-1-6-14-12(7-10)8-15(23-14)17(21)22/h1-8,18,21-22H,9H2,(H,19,20)