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

Systemtic Name: 3-[2-(dihydroxyboranyl)-2-(2-thiophen-2-ylethanoylamino)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-borono-2-[[2-(2-thienyl)acetyl]amino]ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-[(1-oxo-2-thiophen-2-ylethyl)amino]ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-[(2-thiophen-2-ylacetyl)amino]ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-[[2-(2-thienyl)acetyl]amino]ethyl]-2-hydroxy-benzoic acid Formula: C15H16BNO6S MolecularWeight: 349.16664

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)CC2=CC=CS2)(O)O

Isomeric SMILES

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)CC2=CC=CS2)(O)O

InChI

InChI=1S/C15H16BNO6S/c18-13(8-10-4-2-6-24-10)17-12(16(22)23)7-9-3-1-5-11(14(9)19)15(20)21/h1-6,12,19,22-23H,7-8H2,(H,17,18)(H,20,21)