(3Z)-3-[(2,4-dimethoxypyrimidin-5-yl)methylidene]-4-(4-methylphenyl)sulfonyl-1,4-benzoxazine

Systemtic Name: (3Z)-3-[(2,4-dimethoxypyrimidin-5-yl)methylidene]-4-(4-methylphenyl)sulfonyl-1,4-benzoxazine Openeye Name: (3Z)-3-[(2,4-dimethoxypyrimidin-5-yl)methylene]-4-(p-tolylsulfonyl)-1,4-benzoxazine CAS Name: (3Z)-3-[(2,4-dimethoxy-5-pyrimidinyl)methylidene]-4-(4-methylphenyl)sulfonyl-1,4-benzoxazine IUPAC Name: (3Z)-3-[(2,4-dimethoxypyrimidin-5-yl)methylidene]-4-(4-methylphenyl)sulfonyl-1,4-benzoxazine Traditional Name: (3Z)-3-[(2,4-dimethoxypyrimidin-5-yl)methylene]-4-tosyl-1,4-benzoxazine Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=CN=C(N=C3OC)OC)COC4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2/C(=C\C3=CN=C(N=C3OC)OC)/COC4=CC=CC=C42

InChI

InChI=1S/C22H21N3O5S/c1-15-8-10-18(11-9-15)31(26,27)25-17(14-30-20-7-5-4-6-19(20)25)12-16-13-23-22(29-3)24-21(16)28-2/h4-13H,14H2,1-3H3/b17-12-