[4-ethoxycarbonyl-4-(4-phenoxyphenyl)sulfanyl-piperidin-1-yl]-methyl-borinic acid

Systemtic Name: [4-ethoxycarbonyl-4-(4-phenoxyphenyl)sulfanyl-piperidin-1-yl]-methyl-borinic acid Openeye Name: [4-ethoxycarbonyl-4-(4-phenoxyphenyl)sulfanyl-1-piperidyl]-methyl-borinic acid CAS Name: [4-ethoxycarbonyl-4-[(4-phenoxyphenyl)thio]-1-piperidinyl]-methylborinic acid IUPAC Name: [4-ethoxycarbonyl-4-(4-phenoxyphenyl)sulfanylpiperidin-1-yl]-methylborinic acid Traditional Name: [4-carbethoxy-4-[(4-phenoxyphenyl)thio]piperidino]-methyl-borinic acid Formula: C21H26BNO4S MolecularWeight: 399.31144

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCC(CC1)(C(=O)OCC)SC2=CC=C(C=C2)OC3=CC=CC=C3)O

Isomeric SMILES

B(C)(N1CCC(CC1)(C(=O)OCC)SC2=CC=C(C=C2)OC3=CC=CC=C3)O

InChI

InChI=1S/C21H26BNO4S/c1-3-26-20(24)21(13-15-23(16-14-21)22(2)25)28-19-11-9-18(10-12-19)27-17-7-5-4-6-8-17/h4-12,25H,3,13-16H2,1-2H3