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

Systemtic Name: [3-methyl-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]-3-methyl-piperazine-1-carbonyl]boron CAS Name: [[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-3-methyl-1-piperazinyl]-oxomethyl]boron IUPAC Name: [4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-3-methylpiperazine-1-carbonyl]boron Traditional Name: [4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-3-methyl-piperazine-1-carbonyl]boron Formula: C17H22BN3O3S MolecularWeight: 359.25088

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)N1CCN(C(C1)C)CC(COC2=CC3=C(C=C2)SC(=N3)C)O

Isomeric SMILES

[B]C(=O)N1CCN(C(C1)C)CC(COC2=CC3=C(C=C2)SC(=N3)C)O

InChI

InChI=1S/C17H22BN3O3S/c1-11-8-21(17(18)23)6-5-20(11)9-13(22)10-24-14-3-4-16-15(7-14)19-12(2)25-16/h3-4,7,11,13,22H,5-6,8-10H2,1-2H3