2-butyl-3-[[4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: 2-butyl-3-[[4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: 2-butyl-3-[[4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylate IUPAC Name: 2-butyl-3-[[4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)benzyl]-5-(methylthio)imidazole-4-carboxylate Formula: C20H26BN2O4S- MolecularWeight: 401.30744

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(O1)(C)C)C2=CC=C(C=C2)CN3C(=NC(=C3C(=O)[O-])SC)CCCC

Isomeric SMILES

B1(OCC(O1)(C)C)C2=CC=C(C=C2)CN3C(=NC(=C3C(=O)[O-])SC)CCCC

InChI

InChI=1S/C20H27BN2O4S/c1-5-6-7-16-22-18(28-4)17(19(24)25)23(16)12-14-8-10-15(11-9-14)21-26-13-20(2,3)27-21/h8-11H,5-7,12-13H2,1-4H3,(H,24,25)/p-1