[4-[(2-butyl-5-ethoxycarbonyl-4-methylsulfanyl-imidazol-1-yl)methyl]phenyl]boronic acid

Systemtic Name: [4-[(2-butyl-5-ethoxycarbonyl-4-methylsulfanyl-imidazol-1-yl)methyl]phenyl]boronic acid Openeye Name: [4-[(2-butyl-5-ethoxycarbonyl-4-methylsulfanyl-imidazol-1-yl)methyl]phenyl]boronic acid CAS Name: [4-[[2-butyl-5-ethoxycarbonyl-4-(methylthio)-1-imidazolyl]methyl]phenyl]boronic acid IUPAC Name: [4-[(2-butyl-5-ethoxycarbonyl-4-methylsulfanylimidazol-1-yl)methyl]phenyl]boronic acid Traditional Name: [4-[[2-butyl-5-carbethoxy-4-(methylthio)imidazol-1-yl]methyl]phenyl]boronic acid Formula: C18H25BN2O4S MolecularWeight: 376.2781

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)CN2C(=NC(=C2C(=O)OCC)SC)CCCC)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)CN2C(=NC(=C2C(=O)OCC)SC)CCCC)(O)O

InChI

InChI=1S/C18H25BN2O4S/c1-4-6-7-15-20-17(26-3)16(18(22)25-5-2)21(15)12-13-8-10-14(11-9-13)19(23)24/h8-11,23-24H,4-7,12H2,1-3H3