[5-[[(4-ethanoylphenyl)amino]methyl]-1-benzothiophen-2-yl]boronic acid

Systemtic Name: [5-[[(4-ethanoylphenyl)amino]methyl]-1-benzothiophen-2-yl]boronic acid Openeye Name: [5-[(4-acetylanilino)methyl]benzothiophen-2-yl]boronic acid CAS Name: [5-[(4-acetylanilino)methyl]-1-benzothiophen-2-yl]boronic acid IUPAC Name: [5-[(4-acetylanilino)methyl]-1-benzothiophen-2-yl]boronic acid Traditional Name: [5-[(4-acetylanilino)methyl]benzothiophen-2-yl]boronic acid Formula: C17H16BNO3S MolecularWeight: 325.18984

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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)C)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H16BNO3S/c1-11(20)13-3-5-15(6-4-13)19-10-12-2-7-16-14(8-12)9-17(23-16)18(21)22/h2-9,19,21-22H,10H2,1H3