1,3-benzothiazol-6-yl-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[2-[(3-ethynylphenoxy)methyl]morpholino]methanone Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H18N2O3S/c1-2-15-4-3-5-17(10-15)26-13-18-12-23(8-9-25-18)21(24)16-6-7-19-20(11-16)27-14-22-19/h1,3-7,10-11,14,18H,8-9,12-13H2