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

Systemtic Name: ethyl 3-[[4-(1,3,2-benzodioxaborol-2-yl)phenyl]methyl]-2-butyl-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[[4-(1,3,2-benzodioxaborol-2-yl)phenyl]methyl]-2-butyl-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-[[4-(1,3,2-benzodioxaborol-2-yl)phenyl]methyl]-2-butyl-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(1,3,2-benzodioxaborol-2-yl)phenyl]methyl]-2-butyl-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-[4-(1,3,2-benzodioxaborol-2-yl)benzyl]-2-butyl-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C24H27BN2O4S MolecularWeight: 450.35818

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC2=CC=CC=C2O1)C3=CC=C(C=C3)CN4C(=NC(=C4C(=O)OCC)SC)CCCC

Isomeric SMILES

B1(OC2=CC=CC=C2O1)C3=CC=C(C=C3)CN4C(=NC(=C4C(=O)OCC)SC)CCCC

InChI

InChI=1S/C24H27BN2O4S/c1-4-6-11-21-26-23(32-3)22(24(28)29-5-2)27(21)16-17-12-14-18(15-13-17)25-30-19-9-7-8-10-20(19)31-25/h7-10,12-15H,4-6,11,16H2,1-3H3