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

Systemtic Name: ethyl 2-butyl-3-[[4-(1,3,2-dioxaborolan-2-yl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-(1,3,2-dioxaborolan-2-yl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(1,3,2-dioxaborolan-2-yl)phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-(1,3,2-dioxaborolan-2-yl)phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(1,3,2-dioxaborolan-2-yl)benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C20H27BN2O4S MolecularWeight: 402.31538

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCCO1)C2=CC=C(C=C2)CN3C(=NC(=C3C(=O)OCC)SC)CCCC

Isomeric SMILES

B1(OCCO1)C2=CC=C(C=C2)CN3C(=NC(=C3C(=O)OCC)SC)CCCC

InChI

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