N-[4-ethoxy-4-oxidanylidene-1-[(3-phenylmethoxyphenyl)methylamino]-1-sulfanylidene-butan-2-yl]-methyl-boronamidic acid

Systemtic Name: N-[4-ethoxy-4-oxidanylidene-1-[(3-phenylmethoxyphenyl)methylamino]-1-sulfanylidene-butan-2-yl]-methyl-boronamidic acid Openeye Name: N-[1-[(3-benzyloxyphenyl)methylcarbamothioyl]-3-ethoxy-3-oxo-propyl]-methyl-boronamidic acid CAS Name: N-[4-ethoxy-4-oxo-1-[(3-phenylmethoxyphenyl)methylamino]-1-sulfanylidenebutan-2-yl]-methylboronamidic acid IUPAC Name: N-[4-ethoxy-4-oxo-1-[(3-phenylmethoxyphenyl)methylamino]-1-sulfanylidenebutan-2-yl]-methylboronamidic acid Traditional Name: N-[1-[(3-benzoxybenzyl)thiocarbamoyl]-3-ethoxy-3-keto-propyl]-methyl-boronamidic acid Formula: C21H27BN2O4S MolecularWeight: 414.32608

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(NC(CC(=O)OCC)C(=S)NCC1=CC(=CC=C1)OCC2=CC=CC=C2)O

Isomeric SMILES

B(C)(NC(CC(=O)OCC)C(=S)NCC1=CC(=CC=C1)OCC2=CC=CC=C2)O

InChI

InChI=1S/C21H27BN2O4S/c1-3-27-20(25)13-19(24-22(2)26)21(29)23-14-17-10-7-11-18(12-17)28-15-16-8-5-4-6-9-16/h4-12,19,24,26H,3,13-15H2,1-2H3,(H,23,29)