4-[2-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-oxidanylidene-ethyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[2-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-oxidanylidene-ethyl]-1,4-benzothiazin-3-one Openeye Name: 4-[2-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-oxo-ethyl]-1,4-benzothiazin-3-one CAS Name: 4-[2-[2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]-2-oxoethyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[2-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-1,4-benzothiazin-3-one Traditional Name: 4-[2-[2-[(3-ethynylphenoxy)methyl]morpholino]-2-keto-ethyl]-1,4-benzothiazin-3-one Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)CN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)CN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C23H22N2O4S/c1-2-17-6-5-7-18(12-17)29-15-19-13-24(10-11-28-19)22(26)14-25-20-8-3-4-9-21(20)30-16-23(25)27/h1,3-9,12,19H,10-11,13-16H2