2-butyl-3-[[4-(dihydroxyboranyl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: 2-butyl-3-[[4-(dihydroxyboranyl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: 3-[(4-boronophenyl)methyl]-2-butyl-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-[(4-boronophenyl)methyl]-2-butyl-5-(methylthio)-4-imidazolecarboxylate IUPAC Name: 3-[(4-boronophenyl)methyl]-2-butyl-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-boronobenzyl)-2-butyl-5-(methylthio)imidazole-4-carboxylate Formula: C16H20BN2O4S- MolecularWeight: 347.217

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)CN2C(=NC(=C2C(=O)[O-])SC)CCCC)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)CN2C(=NC(=C2C(=O)[O-])SC)CCCC)(O)O

InChI

InChI=1S/C16H21BN2O4S/c1-3-4-5-13-18-15(24-2)14(16(20)21)19(13)10-11-6-8-12(9-7-11)17(22)23/h6-9,22-23H,3-5,10H2,1-2H3,(H,20,21)/p-1