[5-[[(3,4-dimethoxyphenyl)amino]methyl]-1-benzothiophen-2-yl]boronic acid

Systemtic Name: [5-[[(3,4-dimethoxyphenyl)amino]methyl]-1-benzothiophen-2-yl]boronic acid Openeye Name: [5-[(3,4-dimethoxyanilino)methyl]benzothiophen-2-yl]boronic acid CAS Name: [5-[(3,4-dimethoxyanilino)methyl]-1-benzothiophen-2-yl]boronic acid IUPAC Name: [5-[(3,4-dimethoxyanilino)methyl]-1-benzothiophen-2-yl]boronic acid Traditional Name: [5-[(3,4-dimethoxyanilino)methyl]benzothiophen-2-yl]boronic acid Formula: C17H18BNO4S MolecularWeight: 343.20512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BNO4S/c1-22-14-5-4-13(9-15(14)23-2)19-10-11-3-6-16-12(7-11)8-17(24-16)18(20)21/h3-9,19-21H,10H2,1-2H3