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

Systemtic Name: 2-butyl-3-[[4-(dihydroxyboranyl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 3-[(4-boronophenyl)methyl]-2-butyl-5-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 3-[(4-boronophenyl)methyl]-2-butyl-5-(methylthio)-4-imidazolecarboxylic acid IUPAC Name: 3-[(4-boronophenyl)methyl]-2-butyl-5-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 3-(4-boronobenzyl)-2-butyl-5-(methylthio)imidazole-4-carboxylic acid Formula: C16H21BN2O4S MolecularWeight: 348.22494

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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)