[4-[3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]piperazin-1-yl]carbonylboron

Systemtic Name: [4-[3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]piperazin-1-yl]carbonylboron Openeye Name: [4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazine-1-carbonyl]boron CAS Name: [[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-1-piperazinyl]-oxomethyl]boron IUPAC Name: [4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazine-1-carbonyl]boron Traditional Name: [4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazine-1-carbonyl]boron Formula: C16H20BN3O3S MolecularWeight: 345.2243

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)N1CCN(CC1)CC(COC2=CC3=C(C=C2)SC(=N3)C)O

Isomeric SMILES

[B]C(=O)N1CCN(CC1)CC(COC2=CC3=C(C=C2)SC(=N3)C)O

InChI

InChI=1S/C16H20BN3O3S/c1-11-18-14-8-13(2-3-15(14)24-11)23-10-12(21)9-19-4-6-20(7-5-19)16(17)22/h2-3,8,12,21H,4-7,9-10H2,1H3